2-[(1R)-1-[(6-amino-5-chloropyrimidine-4-carbonyl)amino]ethyl]-N-[5-chloro-4-(trifluoromethyl)pyridin-2-yl]-1,3-thiazole-5-carboxamide

  • Description:
  • Formula: C17H12Cl2F3N7O2S
  • Molar mass: 506.3 g mol-1
  • InChI Key: VWMJHAFYPMOMGF-ZCFIWIBFSA-N
2-[(1R)-1-[(6-amino-5-chloropyrimidine-4-carbonyl)amino]ethyl]-N-[5-chloro-4-(trifluoromethyl)pyridin-2-yl]-1,3-thiazole-5-carboxamide

Identifiers (28)

  • Standard InChI: InChI=1S/C17H12Cl2F3N7O2S/c1-6(28-15(31)12-11(19)13(23)27-5-26-12)16-25-4-9(32-16)14(30)29-10-2-7(17(20,21)22)8(18)3-24-10/h2-6H,1H3,(H,28,31)(H2,23,26,27)(H,24,29,30)/t6-/m1/s1 (Source: PubChem)
  • PubChem CID: 25161177 (Source: PubChem)
  • SMILES String: C[C@H](C1=NC=C(S1)C(=O)NC2=NC=C(C(=C2)C(F)(F)F)Cl)NC(=O)C3=C(C(=NC=N3)N)Cl (Source: PubChem)
  • ChEMBL ID: CHEMBL3348923 (Source: ChEMBL)
  • Drug Name: Tovorafenib (Source: ChEMBL)
  • Standard InChI: InChI=1S/C17H12Cl2F3N7O2S/c1-6(28-15(31)12-11(19)13(23)27-5-26-12)16-25-4-9(32-16)14(30)29-10-2-7(17(20,21)22)8(18)3-24-10/h2-6H,1H3,(H,28,31)(H2,23,26,27)(H,24,29,30)/t6-/m1/s1 (Source: ChEMBL)
  • Standard InChIKey: VWMJHAFYPMOMGF-ZCFIWIBFSA-N (Source: ChEMBL)
  • SMILES String: C[C@@H](NC(=O)c1ncnc(N)c1Cl)c1ncc(C(=O)Nc2cc(C(F)(F)F)c(Cl)cn2)s1 (Source: ChEMBL)
  • ACS Substance Name: Tovorafenib (Source: ChEMBL)
  • Standard InChI: InChI=1S/C17H12Cl2F3N7O2S/c1-6(28-15(31)12-11(19)13(23)27-5-26-12)16-25-4-9(32-16)14(30)29-10-2-7(17(20,21)22)8(18)3-24-10/h2-6H,1H3,(H,28,31)(H2,23,26,27)(H,24,29,30)/t6-/m1/s1 (Source: ChEMBL)
  • Standard InChIKey: VWMJHAFYPMOMGF-ZCFIWIBFSA-N (Source: ChEMBL)
  • SMILES String: C[C@@H](NC(=O)c1ncnc(N)c1Cl)c1ncc(C(=O)Nc2cc(C(F)(F)F)c(Cl)cn2)s1 (Source: ChEMBL)
  • Standard InChI: InChI=1S/C17H12Cl2F3N7O2S/c1-6(28-15(31)12-11(19)13(23)27-5-26-12)16-25-4-9(32-16)14(30)29-10-2-7(17(20,21)22)8(18)3-24-10/h2-6H,1H3,(H,28,31)(H2,23,26,27)(H,24,29,30)/t6-/m1/s1 (Source: ChEMBL)
  • Standard InChIKey: VWMJHAFYPMOMGF-ZCFIWIBFSA-N (Source: ChEMBL)
  • SMILES String: C[C@@H](NC(=O)c1ncnc(N)c1Cl)c1ncc(C(=O)Nc2cc(C(F)(F)F)c(Cl)cn2)s1 (Source: ChEMBL)
  • Connectivity SMILES string: CC(C1=NC=C(S1)C(=O)NC2=NC=C(C(=C2)C(F)(F)F)Cl)NC(=O)C3=C(C(=NC=N3)N)Cl (Source: PubChem)
  • IUPAC Name: 2-[(1R)-1-[(6-amino-5-chloropyrimidine-4-carbonyl)amino]ethyl]-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide (Source: PubChem)
  • Standard InChIKey: VWMJHAFYPMOMGF-ZCFIWIBFSA-N (Source: PubChem)
  • CAS Registry Number: 1096708-71-2 (Source: PubChem)
  • ChEBI ID: CHEBI:167672 (Source: PubChem)
  • ChEMBL ID: CHEMBL3348923 (Source: PubChem)
  • CompTox Dashboard Compound ID: DTXCID4071502 (Source: PubChem)
  • CompTox Dashboard Substance ID: DTXSID70149011 (Source: PubChem)
  • Wikidata ID: Q27295775 (Source: PubChem)
  • Connectivity SMILES string: C[C@@H](NC(=O)c1ncnc(N)c1Cl)c1ncc(C(=O)Nc2cc(C(F)(F)F)c(Cl)cn2)s1 (Source: ChEMBL)
  • International Nonproprietary Name: Tovorafenib (Source: ChEMBL)
  • Preferred Name: TOVORAFENIB (Source: ChEMBL)
  • US Adopted Name: Tovorafenib (Source: ChEMBL)

    • Sources: PubChem (12) ChEMBL (16)

    Data (36)

  • Molecule statistics: 32 (Source: ChEMBL)
  • Molecule statistics: 1 (Source: PubChem)
  • Molecule statistics: 0 (Source: PubChem)
  • Thermodynamic parameters: 3 (Source: PubChem)
  • Molecule statistics: 1 (Source: PubChem)
  • Molecule statistics: 1 (Source: PubChem)
  • Molecule statistics: 0 (Source: PubChem)
  • Mass parameters: 505.0102337 Da (Source: PubChem)
  • Molecule statistics: 32 (Source: PubChem)
  • Molecule statistics: 11 (Source: PubChem)
  • Molecule statistics: 3 (Source: PubChem)
  • Molecule statistics: 0 (Source: PubChem)
  • Surface parameters: 0 (Source: PubChem)
  • Stuctural analysis: 695 (Source: PubChem)
  • Stuctural analysis: 339.5 (Source: PubChem)
  • Mass parameters: 506.3 g/mol (Source: PubChem)
  • Mass parameters: 505.0102337 Da (Source: PubChem)
  • Molecule statistics: 5 (Source: PubChem)
  • Surface parameters: 164 Ų (Source: PubChem)
  • Molecule statistics: 0 (Source: PubChem)
  • Molecule statistics: 0 (Source: PubChem)
  • Mass parameters: 506.30 g/mol (Source: ChEMBL)
  • Mass parameters: 506.30 g/mol (Source: ChEMBL)
  • Mass parameters: 506.30 g/mol (Source: ChEMBL)
  • Thermodynamic parameters: 3 (Source: ChEMBL)
  • Thermodynamic parameters: 3.98 (Source: ChEMBL)
  • Molecule statistics: 32 (Source: ChEMBL)
  • Molecule statistics: 8 (Source: ChEMBL)
  • Molecule statistics: 3 (Source: ChEMBL)
  • Mass parameters: 506.30 g/mol (Source: ChEMBL)
  • Mass parameters: 506.30 g/mol (Source: ChEMBL)
  • Molecule statistics: -1.44 (Source: ChEMBL)
  • Molecule statistics: 135.78 (Source: ChEMBL)
  • Molecule statistics: 0.48 (Source: ChEMBL)
  • Molecule statistics: 5 (Source: ChEMBL)
  • Molecule statistics: 1 (Source: ChEMBL)

    • Sources: ChEMBL (16) PubChem (20)

    Information (8)

  • Chemical formula: C17H12Cl2F3N7O2S (Source: ChEMBL)
  • Description: Small Molecule (Source: ChEMBL)
  • Chemical formula: C17H12Cl2F3N7O2S (Source: PubChem)
  • Chirality: 1 (Source: ChEMBL)
  • Molecule type: Small molecule (Source: ChEMBL)
  • Passes the rule of three : N (Source: ChEMBL)
  • USAN STEM Defintion: rapidly accelerated fibrosarcoma (RAF) kinase inhibitors (Source: ChEMBL)
  • USAN STEM: -rafenib (Source: ChEMBL)

    • Sources: ChEMBL (7) PubChem (1)