6-N-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-4-N-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]quinazoline-4,6-diamine

  • Description:
  • Formula: C26H24N8O2
  • Molar mass: 480.5 g mol-1
  • InChI Key: SDEAXTCZPQIFQM-UHFFFAOYSA-N
6-N-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-4-N-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]quinazoline-4,6-diamine

Identifiers (42)

  • Standard InChI: InChI=1S/C26H24N8O2/c1-16-10-17(5-7-22(16)36-19-8-9-34-23(12-19)28-15-30-34)31-24-20-11-18(4-6-21(20)27-14-29-24)32-25-33-26(2,3)13-35-25/h4-12,14-15H,13H2,1-3H3,(H,32,33)(H,27,29,31) (Source: PubChem)
  • IUPAC Name: 6-N-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-4-N-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]quinazoline-4,6-diamine (Source: PubChem)
  • PubChem CID: 51039094 (Source: PubChem)
  • SMILES String: CC1=C(C=CC(=C1)NC2=NC=NC3=C2C=C(C=C3)NC4=NC(CO4)(C)C)OC5=CC6=NC=NN6C=C5 (Source: PubChem)
  • CAS Registry Number: 937263-43-9 (Source: DrugBank)
  • CAS Registry Number: 937263-43-9 (Source: PubChem)
  • Brand Name: Tucatinib (Source: ChEMBL)
  • SMILES String: Cc1cc(Nc2ncnc3ccc(NC4=NC(C)(C)CO4)cc23)ccc1Oc1ccn2ncnc2c1 (Source: ChEMBL)
  • IUPAC Name: N6-(4,4-dimethyl-4,5-dihydro-1,3-oxazol-2-yl)-N4-(3-methyl-4-{[1,2,4]triazolo[1,5-a]pyridin-7-yloxy}phenyl)quinazoline-4,6-diamine (Source: DrugBank)
  • Standard InChIKey: SDEAXTCZPQIFQM-UHFFFAOYSA-N (Source: PubChem)
  • CAS Registry Number: 937263-43-9 (Source: J-Global)
  • SMILES String: CC1=CC(NC2=NC=NC3=CC=C(NC4=NC(C)(C)CO4)C=C23)=CC=C1OC1=CC2=NC=NN2C=C1 (Source: DrugBank)
  • SMILES String: CC1=CC(NC2=C3C=C(NC4=NC(C)(C)CO4)C=CC3=NC=N2)=CC=C1OC1=CC2=NC=NN2C=C1 CC1=CC(NC2=C3C=C(NC4=NC(C)(C)CO4)C=CC3=NC=N2)=CC=C1OC1=CC2=NC=NN2C=C1 (Source: USEPA CompTox Dashboard)
  • SMILES String: CC1=CC(NC2=NC=NC3=CC=C(NC4=NC(C)(C)CO4)C=C23)=CC=C1OC1=CC2=NC=NN2C=C1 (Source: Human Metabolome Database)
  • SMILES String: N(c1ccc(Oc2ccn3ncnc3c2)c(C)c1)c1ncnc2ccc(NC3=NC(CO3)(C)C)cc12 (Source: J-Global)
  • Standard InChIKey: SDEAXTCZPQIFQM-UHFFFAOYSA-N (Source: DrugBank)
  • Standard InChI: InChI=1S/C26H24N8O2/c1-16-10-17(5-7-22(16)36-19-8-9-34-23(12-19)28-15-30-34)31-24-20-11-18(4-6-21(20)27-14-29-24)32-25-33-26(2,3)13-35-25/h4-12,14-15H,13H2,1-3H3,(H,32,33)(H,27,29,31) (Source: DrugBank)
  • Standard InChI: InChI=1S/C26H24N8O2/c1-16-10-17(5-7-22(16)36-19-8-9-34-23(12-19)28-15-30-34)31-24-20-11-18(4-6-21(20)27-14-29-24)32-25-33-26(2,3)13-35-25/h4-12,14-15H,13H2,1-3H3,(H,32,33)(H,27,29,31) (Source: USEPA CompTox Dashboard)
  • Standard InChIKey: SDEAXTCZPQIFQM-UHFFFAOYSA-N (Source: USEPA CompTox Dashboard)
  • Standard InChIKey: SDEAXTCZPQIFQM-UHFFFAOYSA-N (Source: Human Metabolome Database)
  • Standard InChI: InChI=1S/C26H24N8O2/c1-16-10-17(5-7-22(16)36-19-8-9-34-23(12-19)28-15-30-34)31-24-20-11-18(4-6-21(20)27-14-29-24)32-25-33-26(2,3)13-35-25/h4-12,14-15H,13H2,1-3H3,(H,32,33)(H,27,29,31) (Source: Human Metabolome Database)
  • Standard InChI: InChI=1S/C26H24N8O2/c1-16-10-17(5-7-22(16)36-19-8-9-34-23(12-19)28-15-30-34)31-24-20-11-18(4-6-21(20)27-14-29-24)32-25-33-26(2,3)13-35-25/h4-12,14-15H,13H2,1-3H3,(H,32,33)(H,27,29,31) (Source: UniChem)
  • Standard InChIKey: SDEAXTCZPQIFQM-UHFFFAOYSA-N (Source: UniChem)
  • Standard InChI: InChI=1S/C26H24N8O2/c1-16-10-17(5-7-22(16)36-19-8-9-34-23(12-19)28-15-30-34)31-24-20-11-18(4-6-21(20)27-14-29-24)32-25-33-26(2,3)13-35-25/h4-12,14-15H,13H2,1-3H3,(H,32,33)(H,27,29,31) (Source: J-Global)
  • Standard InChIKey: SDEAXTCZPQIFQM-UHFFFAOYSA-N (Source: J-Global)
  • Standard InChIKey: SDEAXTCZPQIFQM-UHFFFAOYSA-N (Source: USFDA Purple Book)
  • Standard InChI: InChI=1S/C26H24N8O2/c1-16-10-17(5-7-22(16)36-19-8-9-34-23(12-19)28-15-30-34)31-24-20-11-18(4-6-21(20)27-14-29-24)32-25-33-26(2,3)13-35-25/h4-12,14-15H,13H2,1-3H3,(H,32,33)(H,27,29,31) (Source: Wikidata)
  • ChEMBL ID: CHEMBL3989868 (Source: ChEMBL)
  • Connectivity SMILES string: CC1=C(C=CC(=C1)NC2=NC=NC3=C2C=C(C=C3)NC4=NC(CO4)(C)C)OC5=CC6=NC=NN6C=C5 (Source: PubChem)
  • ChEMBL ID: CHEMBL3989868 (Source: PubChem)
  • CompTox Dashboard Compound ID: DTXCID801513525 (Source: PubChem)
  • CompTox Dashboard Substance ID: DTXSID601027958 (Source: PubChem)
  • Wikidata ID: Q25100690 (Source: PubChem)
  • WHO ATC Classification Drug Code: L01EH03 (Source: ChEMBL)
  • WHO ATC Classification Drug Name: Tucatinib (Source: ChEMBL)
  • Connectivity SMILES string: Cc1cc(Nc2ncnc3ccc(NC4=NC(C)(C)CO4)cc23)ccc1Oc1ccn2ncnc2c1 (Source: ChEMBL)
  • European Medicines Agency Name: Tucatinib (Source: ChEMBL)
  • International Nonproprietary Name: Tucatinib (Source: ChEMBL)
  • Preferred Name: TUCATINIB (Source: ChEMBL)
  • Standard InChI: InChI=1S/C26H24N8O2/c1-16-10-17(5-7-22(16)36-19-8-9-34-23(12-19)28-15-30-34)31-24-20-11-18(4-6-21(20)27-14-29-24)32-25-33-26(2,3)13-35-25/h4-12,14-15H,13H2,1-3H3,(H,32,33)(H,27,29,31) (Source: ChEMBL)
  • Standard InChIKey: SDEAXTCZPQIFQM-UHFFFAOYSA-N (Source: ChEMBL)
  • US Adopted Name: Tucatinib (Source: ChEMBL)

    • Sources: PubChem (11) DrugBank (5) ChEMBL (12) J-Global (4) USEPA CompTox Dashboard (3) Human Metabolome Database (3) UniChem (2) USFDA Purple Book (1) Wikidata (1)

    Data (58)

  • Mass parameters: 480.20222204 (Source: PubChem)
  • Surface parameters: 111 (Source: PubChem)
  • Thermodynamic parameters: 4 (Source: PubChem)
  • Molecule statistics: 2 (Source: PubChem)
  • Molecule statistics: 8 (Source: PubChem)
  • Surface parameters: 36 (Source: PubChem)
  • Molecule statistics: 0 (Source: PubChem)
  • Molecule statistics: 6 (Source: PubChem)
  • Stuctural analysis: 796 (Source: PubChem)
  • Molecule statistics: 0 (Source: PubChem)
  • Molecule statistics: 0 (Source: PubChem)
  • Thermodynamic parameters: 4 (Source: PubChem)
  • Molecule statistics: 1 (Source: PubChem)
  • Molecule statistics: 0 (Source: PubChem)
  • Molecule statistics: 0 (Source: PubChem)
  • Mass parameters: 480.20222204 Da (Source: PubChem)
  • Molecule statistics: 36 (Source: PubChem)
  • Molecule statistics: 8 (Source: PubChem)
  • Molecule statistics: 2 (Source: PubChem)
  • Molecule statistics: 0 (Source: PubChem)
  • Surface parameters: 0 (Source: PubChem)
  • Stuctural analysis: 796 (Source: PubChem)
  • Stuctural analysis: 364.9 (Source: PubChem)
  • Mass parameters: 480.5 g/mol (Source: PubChem)
  • Mass parameters: 480.20222204 Da (Source: PubChem)
  • Molecule statistics: 6 (Source: PubChem)
  • Surface parameters: 111 Ų (Source: PubChem)
  • Molecule statistics: 0 (Source: PubChem)
  • Molecule statistics: 0 (Source: PubChem)
  • Mass parameters: 480.2022 (Source: USEPA CompTox Dashboard)
  • Physical properties: 5 (Source: DrugCentral 2023)
  • Thermodynamic parameters: 3.0E3.0 cm³/molecule•second (Source: USEPA CompTox Dashboard)
  • Mass parameters: 480.532 (Source: Human Metabolome Database)
  • Physical properties: 6.46 (Source: USEPA CompTox Dashboard)
  • Physical properties: 14.1 (Source: USEPA CompTox Dashboard)
  • Molecule statistics: 8.5 (Source: USFDA Purple Book)
  • Physical properties: 327 (Source: USEPA CompTox Dashboard)
  • Thermodynamic parameters: 5.09 (Source: DrugCentral 2023)
  • Stuctural analysis: 0 (Source: PubChem)
  • Physical properties: 1.42 (Source: USEPA CompTox Dashboard)
  • Physical properties: 36 (Source: PDBe Ligands)
  • Thermodynamic parameters: NoneENone atm•m³/mol (Source: USEPA CompTox Dashboard)
  • Physical properties: 10 (Source: DrugCentral 2023)
  • Physical properties: 2 (Source: DrugCentral 2023)
  • Physical properties: 0 (Source: PubChem)
  • Physical properties: 236 (Source: USEPA CompTox Dashboard)
  • Thermodynamic parameters: 5 (Source: ChEMBL)
  • Thermodynamic parameters: 5.09 (Source: ChEMBL)
  • Molecule statistics: 36 (Source: ChEMBL)
  • Molecule statistics: 10 (Source: ChEMBL)
  • Molecule statistics: 2 (Source: ChEMBL)
  • Mass parameters: 480.53 g/mol (Source: ChEMBL)
  • Mass parameters: 480.53 g/mol (Source: ChEMBL)
  • Molecule statistics: -1.03 (Source: ChEMBL)
  • Molecule statistics: 110.85 (Source: ChEMBL)
  • Molecule statistics: 0.36 (Source: ChEMBL)
  • Molecule statistics: 5 (Source: ChEMBL)
  • Molecule statistics: 1 (Source: ChEMBL)

    • Sources: PubChem (31) USEPA CompTox Dashboard (8) DrugCentral 2023 (4) Human Metabolome Database (1) USFDA Purple Book (1) PDBe Ligands (1) ChEMBL (12)

    Information (8)

  • Chemical formula: C26H24N8O2 (Source: PubChem)
  • Chirality: 2 (Source: ChEMBL)
  • Chemical formula: C26H24N8O2 (Source: ChEMBL)
  • Molecule type: Small molecule (Source: ChEMBL)
  • Natural product: 1 (Source: ChEMBL)
  • Passes the rule of three : N (Source: ChEMBL)
  • USAN STEM Defintion: tyrosine kinase inhibitors (Source: ChEMBL)
  • USAN STEM: -tinib (Source: ChEMBL)

    • Sources: PubChem (1) ChEMBL (7)