5-[[4-[(2,3-dimethylindazol-6-yl)-methylamino]pyrimidin-2-yl]amino]-2-methylbenzenesulfonamide

  • Description:
  • Formula: C21H23N7O2S
  • Molar mass: 437.5 g mol-1
  • InChI Key: CUIHSIWYWATEQL-UHFFFAOYSA-N
5-[[4-[(2,3-dimethylindazol-6-yl)-methylamino]pyrimidin-2-yl]amino]-2-methylbenzenesulfonamide

Identifiers (21)

  • Standard InChI: InChI=1S/C21H23N7O2S/c1-13-5-6-15(11-19(13)31(22,29)30)24-21-23-10-9-20(25-21)27(3)16-7-8-17-14(2)28(4)26-18(17)12-16/h5-12H,1-4H3,(H2,22,29,30)(H,23,24,25) (Source: PubChem)
  • IUPAC Name: 5-[[4-[(2,3-dimethylindazol-6-yl)-methylamino]pyrimidin-2-yl]amino]-2-methylbenzenesulfonamide (Source: PubChem)
  • PubChem CID: 10113978 (Source: PubChem)
  • SMILES String: CC1=C(C=C(C=C1)NC2=NC=CC(=N2)N(C)C3=CC4=NN(C(=C4C=C3)C)C)S(=O)(=O)N (Source: PubChem)
  • CAS Registry Number: 444731-52-6 (Source: PubChem)
  • Connectivity SMILES string: CC1=C(C=C(C=C1)NC2=NC=CC(=N2)N(C)C3=CC4=NN(C(=C4C=C3)C)C)S(=O)(=O)N (Source: PubChem)
  • Standard InChIKey: CUIHSIWYWATEQL-UHFFFAOYSA-N (Source: PubChem)
  • ChEBI ID: CHEBI:71219 (Source: PubChem)
  • ChEMBL ID: CHEMBL477772 (Source: PubChem)
  • CompTox Dashboard Compound ID: DTXCID1028659 (Source: PubChem)
  • CompTox Dashboard Substance ID: DTXSID8048733 (Source: PubChem)
  • Wikidata ID: Q7157043 (Source: PubChem)
  • WHO ATC Classification Drug Code: L01EX03 (Source: ChEMBL)
  • WHO ATC Classification Drug Name: Pazopanib (Source: ChEMBL)
  • British National Formulary: Pazopanib (Source: ChEMBL)
  • Connectivity SMILES string: Cc1ccc(Nc2nccc(N(C)c3ccc4c(C)n(C)nc4c3)n2)cc1S(N)(=O)=O (Source: ChEMBL)
  • International Nonproprietary Name: Pazopanib (Source: ChEMBL)
  • Merck Index Name: Pazopanib (Source: ChEMBL)
  • Preferred Name: PAZOPANIB (Source: ChEMBL)
  • Standard InChI: InChI=1S/C21H23N7O2S/c1-13-5-6-15(11-19(13)31(22,29)30)24-21-23-10-9-20(25-21)27(3)16-7-8-17-14(2)28(4)26-18(17)12-16/h5-12H,1-4H3,(H2,22,29,30)(H,23,24,25) (Source: ChEMBL)
  • Standard InChIKey: CUIHSIWYWATEQL-UHFFFAOYSA-N (Source: ChEMBL)
  • Data (38)

  • Thermodynamic parameters: 3.1 (Source: PubChem)
  • Surface parameters: 31 (Source: PubChem)
  • Molecule statistics: 8 (Source: PubChem)
  • Molecule statistics: 2 (Source: PubChem)
  • Stuctural analysis: 717 (Source: PubChem)
  • Molecule statistics: 5 (Source: PubChem)
  • Surface parameters: 127 (Source: PubChem)
  • Molecule statistics: 0 (Source: PubChem)
  • Molecule statistics: 0 (Source: PubChem)
  • Thermodynamic parameters: 3.1 (Source: PubChem)
  • Molecule statistics: 1 (Source: PubChem)
  • Molecule statistics: 0 (Source: PubChem)
  • Molecule statistics: 0 (Source: PubChem)
  • Mass parameters: 437.16339418 Da (Source: PubChem)
  • Molecule statistics: 31 (Source: PubChem)
  • Molecule statistics: 8 (Source: PubChem)
  • Molecule statistics: 2 (Source: PubChem)
  • Molecule statistics: 0 (Source: PubChem)
  • Surface parameters: 0 (Source: PubChem)
  • Stuctural analysis: 717 (Source: PubChem)
  • Stuctural analysis: 331.9 (Source: PubChem)
  • Mass parameters: 437.5 g/mol (Source: PubChem)
  • Mass parameters: 437.16339418 Da (Source: PubChem)
  • Molecule statistics: 5 (Source: PubChem)
  • Surface parameters: 127 Ų (Source: PubChem)
  • Molecule statistics: 0 (Source: PubChem)
  • Molecule statistics: 0 (Source: PubChem)
  • Thermodynamic parameters: 4 (Source: ChEMBL)
  • Thermodynamic parameters: 3.14 (Source: ChEMBL)
  • Molecule statistics: 31 (Source: ChEMBL)
  • Molecule statistics: 8 (Source: ChEMBL)
  • Molecule statistics: 2 (Source: ChEMBL)
  • Mass parameters: 437.53 g/mol (Source: ChEMBL)
  • Mass parameters: 437.53 g/mol (Source: ChEMBL)
  • Molecule statistics: -1.70 (Source: ChEMBL)
  • Molecule statistics: 119.03 (Source: ChEMBL)
  • Molecule statistics: 0.49 (Source: ChEMBL)
  • Molecule statistics: 5 (Source: ChEMBL)
  • Information (8)

  • Chemical formula: C21H23N7O2S (Source: PubChem)
  • Chirality: 2 (Source: ChEMBL)
  • Chemical formula: C21H23N7O2S (Source: ChEMBL)
  • Molecule type: Small molecule (Source: ChEMBL)
  • Natural product: 1 (Source: ChEMBL)
  • Passes the rule of three : N (Source: ChEMBL)
  • USAN STEM Defintion: angiogenesis inhibitors (Source: ChEMBL)
  • USAN STEM: -anib (Source: ChEMBL)