(1S)-1-(4-fluorophenyl)-1-[2-[4-[6-(1-methylpyrazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]piperazin-1-yl]pyrimidin-5-yl]ethanamine

  • Description:
  • Formula: C26H27FN10
  • Molar mass: 498.6 g mol-1
  • InChI Key: DWYRIWUZIJHQKQ-SANMLTNESA-N
(1S)-1-(4-fluorophenyl)-1-[2-[4-[6-(1-methylpyrazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]piperazin-1-yl]pyrimidin-5-yl]ethanamine

Identifiers (20)

  • Standard InChI: InChI=1S/C26H27FN10/c1-26(28,20-3-5-22(27)6-4-20)21-13-29-25(30-14-21)36-9-7-35(8-10-36)24-23-11-18(16-37(23)33-17-31-24)19-12-32-34(2)15-19/h3-6,11-17H,7-10,28H2,1-2H3/t26-/m0/s1 (Source: PubChem)
  • IUPAC Name: (1S)-1-(4-fluorophenyl)-1-[2-[4-[6-(1-methylpyrazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]piperazin-1-yl]pyrimidin-5-yl]ethanamine (Source: PubChem)
  • PubChem CID: 118023034 (Source: PubChem)
  • SMILES String: C[C@](C1=CC=C(C=C1)F)(C2=CN=C(N=C2)N3CCN(CC3)C4=NC=NN5C4=CC(=C5)C6=CN(N=C6)C)N (Source: PubChem)
  • Connectivity SMILES string: CC(C1=CC=C(C=C1)F)(C2=CN=C(N=C2)N3CCN(CC3)C4=NC=NN5C4=CC(=C5)C6=CN(N=C6)C)N (Source: PubChem)
  • Standard InChIKey: DWYRIWUZIJHQKQ-SANMLTNESA-N (Source: PubChem)
  • CAS Registry Number: 1703793-34-3 (Source: PubChem)
  • ChEMBL ID: CHEMBL4204794 (Source: PubChem)
  • CompTox Dashboard Compound ID: DTXCID501513502 (Source: PubChem)
  • CompTox Dashboard Substance ID: DTXSID301027935 (Source: PubChem)
  • Wikidata ID: Q29213676 (Source: PubChem)
  • WHO ATC Classification Drug Code: L01EX18 (Source: ChEMBL)
  • WHO ATC Classification Drug Name: Avapritinib (Source: ChEMBL)
  • Connectivity SMILES string: Cn1cc(-c2cc3c(N4CCN(c5ncc([C@@](C)(N)c6ccc(F)cc6)cn5)CC4)ncnn3c2)cn1 (Source: ChEMBL)
  • European Medicines Agency Name: Avapritinib (Source: ChEMBL)
  • International Nonproprietary Name: Avapritinib (Source: ChEMBL)
  • Preferred Name: AVAPRITINIB (Source: ChEMBL)
  • Standard InChI: InChI=1S/C26H27FN10/c1-26(28,20-3-5-22(27)6-4-20)21-13-29-25(30-14-21)36-9-7-35(8-10-36)24-23-11-18(16-37(23)33-17-31-24)19-12-32-34(2)15-19/h3-6,11-17H,7-10,28H2,1-2H3/t26-/m0/s1 (Source: ChEMBL)
  • Standard InChIKey: DWYRIWUZIJHQKQ-SANMLTNESA-N (Source: ChEMBL)
  • US Adopted Name: Avapritinib (Source: ChEMBL)
  • Data (40)

  • Mass parameters: 498.24041907 (Source: PubChem)
  • Surface parameters: 106 (Source: PubChem)
  • Thermodynamic parameters: 1.9 (Source: PubChem)
  • Molecule statistics: 1 (Source: PubChem)
  • Molecule statistics: 9 (Source: PubChem)
  • Surface parameters: 37 (Source: PubChem)
  • Molecule statistics: 0 (Source: PubChem)
  • Molecule statistics: 5 (Source: PubChem)
  • Stuctural analysis: 752 (Source: PubChem)
  • Molecule statistics: 1 (Source: PubChem)
  • Molecule statistics: 0 (Source: PubChem)
  • Thermodynamic parameters: 1.9 (Source: PubChem)
  • Molecule statistics: 1 (Source: PubChem)
  • Molecule statistics: 1 (Source: PubChem)
  • Molecule statistics: 0 (Source: PubChem)
  • Mass parameters: 498.24041907 Da (Source: PubChem)
  • Molecule statistics: 37 (Source: PubChem)
  • Molecule statistics: 9 (Source: PubChem)
  • Molecule statistics: 1 (Source: PubChem)
  • Molecule statistics: 0 (Source: PubChem)
  • Surface parameters: 0 (Source: PubChem)
  • Stuctural analysis: 752 (Source: PubChem)
  • Stuctural analysis: 378.6 (Source: PubChem)
  • Mass parameters: 498.6 g/mol (Source: PubChem)
  • Mass parameters: 498.24041907 Da (Source: PubChem)
  • Molecule statistics: 5 (Source: PubChem)
  • Surface parameters: 106 Ų (Source: PubChem)
  • Molecule statistics: 0 (Source: PubChem)
  • Molecule statistics: 0 (Source: PubChem)
  • Thermodynamic parameters: 5 (Source: ChEMBL)
  • Thermodynamic parameters: 2.61 (Source: ChEMBL)
  • Molecule statistics: 37 (Source: ChEMBL)
  • Molecule statistics: 10 (Source: ChEMBL)
  • Molecule statistics: 1 (Source: ChEMBL)
  • Mass parameters: 498.57 g/mol (Source: ChEMBL)
  • Mass parameters: 498.57 g/mol (Source: ChEMBL)
  • Molecule statistics: -1.68 (Source: ChEMBL)
  • Molecule statistics: 106.29 (Source: ChEMBL)
  • Molecule statistics: 0.39 (Source: ChEMBL)
  • Molecule statistics: 5 (Source: ChEMBL)
  • Information (7)

  • Chemical formula: C26H27FN10 (Source: PubChem)
  • Chirality: 1 (Source: ChEMBL)
  • Chemical formula: C26H27FN10 (Source: ChEMBL)
  • Molecule type: Small molecule (Source: ChEMBL)
  • Passes the rule of three : N (Source: ChEMBL)
  • USAN STEM Defintion: tyrosine kinase inhibitors (Source: ChEMBL)
  • USAN STEM: -tinib (Source: ChEMBL)