N-methyl-2-[[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]sulfanyl]benzamide

  • Description:
  • Formula: C22H18N4OS
  • Molar mass: 386.5 g mol-1
  • InChI Key: RITAVMQDGBJQJZ-FMIVXFBMSA-N
N-methyl-2-[[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]sulfanyl]benzamide

Identifiers (26)

  • SMILES String: CNC(=O)c1ccccc1Sc1ccc2c(/C=C/c3ccccn3)n[nH]c2c1 (Source: ChEMBL)
  • Standard InChI: InChI=1S/C22H18N4OS/c1-23-22(27)18-7-2-3-8-21(18)28-16-10-11-17-19(25-26-20(17)14-16)12-9-15-6-4-5-13-24-15/h2-14H,1H3,(H,23,27)(H,25,26)/b12-9+ (Source: PubChem)
  • IUPAC Name: N-methyl-2-[[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]sulfanyl]benzamide (Source: PubChem)
  • PubChem CID: 6450551 (Source: PubChem)
  • SMILES String: CNC(=O)C1=CC=CC=C1SC2=CC3=C(C=C2)C(=NN3)/C=C/C4=CC=CC=N4 (Source: PubChem)
  • ChEMBL ID: CHEMBL1289926 (Source: PubChem)
  • ChEMBL ID: CHEMBL1289926 (Source: ChEMBL)
  • Drug Name: axitinib (Source: ChEMBL)
  • CAS Registry Number: 319460-85-0 (Source: PubChem)
  • Connectivity SMILES string: CNC(=O)C1=CC=CC=C1SC2=CC3=C(C=C2)C(=NN3)C=CC4=CC=CC=N4 (Source: PubChem)
  • Standard InChIKey: RITAVMQDGBJQJZ-FMIVXFBMSA-N (Source: PubChem)
  • CompTox Dashboard Compound ID: DTXCID8028975 (Source: PubChem)
  • CompTox Dashboard Substance ID: DTXSID3049049 (Source: PubChem)
  • Wikidata ID: Q4830631 (Source: PubChem)
  • WHO ATC Classification Drug Code: L01EK01 (Source: ChEMBL)
  • WHO ATC Classification Drug Name: Axitinib (Source: ChEMBL)
  • British National Formulary: Axitinib (Source: ChEMBL)
  • Connectivity SMILES string: CNC(=O)c1ccccc1Sc1ccc2c(/C=C/c3ccccn3)n[nH]c2c1 (Source: ChEMBL)
  • European Medicines Agency Name: Axitinib (Source: ChEMBL)
  • International Nonproprietary Name: Axitinib (Source: ChEMBL)
  • Japanese Adopted Name: Axitinib (Source: ChEMBL)
  • Merck Index Name: Axitinib (Source: ChEMBL)
  • Preferred Name: AXITINIB (Source: ChEMBL)
  • Standard InChI: InChI=1S/C22H18N4OS/c1-23-22(27)18-7-2-3-8-21(18)28-16-10-11-17-19(25-26-20(17)14-16)12-9-15-6-4-5-13-24-15/h2-14H,1H3,(H,23,27)(H,25,26)/b12-9+ (Source: ChEMBL)
  • Standard InChIKey: RITAVMQDGBJQJZ-FMIVXFBMSA-N (Source: ChEMBL)
  • US Adopted Name: Axitinib (Source: ChEMBL)
  • Data (33)

  • Mass parameters: 386.48 g/mol (Source: ChEMBL)
  • Molecule statistics: 0 (Source: PubChem)
  • Molecule statistics: 1 (Source: PubChem)
  • Thermodynamic parameters: 4.2 (Source: PubChem)
  • Molecule statistics: 1 (Source: PubChem)
  • Molecule statistics: 0 (Source: PubChem)
  • Molecule statistics: 1 (Source: PubChem)
  • Mass parameters: 386.12013238 Da (Source: PubChem)
  • Molecule statistics: 28 (Source: PubChem)
  • Molecule statistics: 4 (Source: PubChem)
  • Molecule statistics: 2 (Source: PubChem)
  • Molecule statistics: 0 (Source: PubChem)
  • Surface parameters: 0 (Source: PubChem)
  • Stuctural analysis: 557 (Source: PubChem)
  • Stuctural analysis: 303.6 (Source: PubChem)
  • Mass parameters: 386.5 g/mol (Source: PubChem)
  • Mass parameters: 386.12013238 Da (Source: PubChem)
  • Molecule statistics: 5 (Source: PubChem)
  • Surface parameters: 96 Ų (Source: PubChem)
  • Molecule statistics: 0 (Source: PubChem)
  • Molecule statistics: 0 (Source: PubChem)
  • Mass parameters: 386.12013238 Da (Source: PubChem)
  • Thermodynamic parameters: 4 (Source: ChEMBL)
  • Thermodynamic parameters: 4.64 (Source: ChEMBL)
  • Molecule statistics: 28 (Source: ChEMBL)
  • Molecule statistics: 4 (Source: ChEMBL)
  • Molecule statistics: 2 (Source: ChEMBL)
  • Mass parameters: 386.48 g/mol (Source: ChEMBL)
  • Mass parameters: 386.48 g/mol (Source: ChEMBL)
  • Molecule statistics: -1.43 (Source: ChEMBL)
  • Molecule statistics: 70.67 (Source: ChEMBL)
  • Molecule statistics: 0.52 (Source: ChEMBL)
  • Molecule statistics: 5 (Source: ChEMBL)
  • Information (8)

  • Chemical formula: C22H18N4OS (Source: PubChem)
  • Chirality: 2 (Source: ChEMBL)
  • Chemical formula: C22H18N4OS (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)