N'-(3,5-dimethoxyphenyl)-N'-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]-N-propan-2-ylethane-1,2-diamine

  • Description:
  • Formula: C25H30N6O2
  • Molar mass: 446.5 g mol-1
  • InChI Key: OLAHOMJCDNXHFI-UHFFFAOYSA-N
N'-(3,5-dimethoxyphenyl)-N'-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]-N-propan-2-ylethane-1,2-diamine

Identifiers (20)

  • Standard InChI: InChI=1S/C25H30N6O2/c1-17(2)26-8-9-31(20-10-21(32-4)13-22(11-20)33-5)19-6-7-23-24(12-19)29-25(15-27-23)18-14-28-30(3)16-18/h6-7,10-17,26H,8-9H2,1-5H3 (Source: PubChem)
  • IUPAC Name: N'-(3,5-dimethoxyphenyl)-N'-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]-N-propan-2-ylethane-1,2-diamine (Source: PubChem)
  • PubChem CID: 67462786 (Source: PubChem)
  • SMILES String: CC(C)NCCN(C1=CC2=NC(=CN=C2C=C1)C3=CN(N=C3)C)C4=CC(=CC(=C4)OC)OC (Source: PubChem)
  • Connectivity SMILES string: CC(C)NCCN(C1=CC2=NC(=CN=C2C=C1)C3=CN(N=C3)C)C4=CC(=CC(=C4)OC)OC (Source: PubChem)
  • Standard InChIKey: OLAHOMJCDNXHFI-UHFFFAOYSA-N (Source: PubChem)
  • CAS Registry Number: 1346242-81-6 (Source: PubChem)
  • ChEBI ID: CHEBI:232556 (Source: PubChem)
  • ChEMBL ID: CHEMBL3545376 (Source: PubChem)
  • CompTox Dashboard Compound ID: DTXCID201513503 (Source: PubChem)
  • CompTox Dashboard Substance ID: DTXSID001027936 (Source: PubChem)
  • Wikidata ID: Q27077213 (Source: PubChem)
  • WHO ATC Classification Drug Code: L01EN01 (Source: ChEMBL)
  • WHO ATC Classification Drug Name: Erdafitinib (Source: ChEMBL)
  • Connectivity SMILES string: COc1cc(OC)cc(N(CCNC(C)C)c2ccc3ncc(-c4cnn(C)c4)nc3c2)c1 (Source: ChEMBL)
  • International Nonproprietary Name: Erdafitinib (Source: ChEMBL)
  • Preferred Name: ERDAFITINIB (Source: ChEMBL)
  • Standard InChI: InChI=1S/C25H30N6O2/c1-17(2)26-8-9-31(20-10-21(32-4)13-22(11-20)33-5)19-6-7-23-24(12-19)29-25(15-27-23)18-14-28-30(3)16-18/h6-7,10-17,26H,8-9H2,1-5H3 (Source: ChEMBL)
  • Standard InChIKey: OLAHOMJCDNXHFI-UHFFFAOYSA-N (Source: ChEMBL)
  • US Adopted Name: Erdafitinib (Source: ChEMBL)

    • Sources: PubChem (12) ChEMBL (8)

    Data (40)

  • Mass parameters: 446.24302422 (Source: PubChem)
  • Surface parameters: 77.3 (Source: PubChem)
  • Thermodynamic parameters: 3.2 (Source: PubChem)
  • Molecule statistics: 1 (Source: PubChem)
  • Molecule statistics: 7 (Source: PubChem)
  • Surface parameters: 33 (Source: PubChem)
  • Molecule statistics: 0 (Source: PubChem)
  • Molecule statistics: 9 (Source: PubChem)
  • Stuctural analysis: 583 (Source: PubChem)
  • Molecule statistics: 0 (Source: PubChem)
  • Molecule statistics: 0 (Source: PubChem)
  • Thermodynamic parameters: 3.2 (Source: PubChem)
  • Molecule statistics: 1 (Source: PubChem)
  • Molecule statistics: 0 (Source: PubChem)
  • Molecule statistics: 0 (Source: PubChem)
  • Mass parameters: 446.24302422 Da (Source: PubChem)
  • Molecule statistics: 33 (Source: PubChem)
  • Molecule statistics: 7 (Source: PubChem)
  • Molecule statistics: 1 (Source: PubChem)
  • Molecule statistics: 0 (Source: PubChem)
  • Surface parameters: 0 (Source: PubChem)
  • Stuctural analysis: 583 (Source: PubChem)
  • Stuctural analysis: 354.6 (Source: PubChem)
  • Mass parameters: 446.5 g/mol (Source: PubChem)
  • Mass parameters: 446.24302422 Da (Source: PubChem)
  • Molecule statistics: 9 (Source: PubChem)
  • Surface parameters: 77.3 Ų (Source: PubChem)
  • Molecule statistics: 0 (Source: PubChem)
  • Molecule statistics: 0 (Source: PubChem)
  • Thermodynamic parameters: 4 (Source: ChEMBL)
  • Thermodynamic parameters: 4.18 (Source: ChEMBL)
  • Molecule statistics: 33 (Source: ChEMBL)
  • Molecule statistics: 8 (Source: ChEMBL)
  • Molecule statistics: 1 (Source: ChEMBL)
  • Mass parameters: 446.56 g/mol (Source: ChEMBL)
  • Mass parameters: 446.56 g/mol (Source: ChEMBL)
  • Molecule statistics: -1.30 (Source: ChEMBL)
  • Molecule statistics: 77.33 (Source: ChEMBL)
  • Molecule statistics: 0.41 (Source: ChEMBL)
  • Molecule statistics: 9 (Source: ChEMBL)

    • Sources: PubChem (29) ChEMBL (11)

    Information (8)

  • Chemical formula: C25H30N6O2 (Source: PubChem)
  • Chirality: 2 (Source: ChEMBL)
  • Chemical formula: C25H30N6O2 (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)