4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]-3-fluorophenoxy]-N-methylpyridine-2-carboxamide

  • Description:
  • Formula: C21H15ClF4N4O3
  • Molar mass: 482.8 g mol-1
  • InChI Key: FNHKPVJBJVTLMP-UHFFFAOYSA-N
4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]-3-fluorophenoxy]-N-methylpyridine-2-carboxamide

Identifiers (25)

  • Standard InChI: InChI=1S/C21H15ClF4N4O3/c1-27-19(31)18-10-13(6-7-28-18)33-12-3-5-17(16(23)9-12)30-20(32)29-11-2-4-15(22)14(8-11)21(24,25)26/h2-10H,1H3,(H,27,31)(H2,29,30,32) (Source: PubChem)
  • IUPAC Name: 4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]-3-fluorophenoxy]-N-methylpyridine-2-carboxamide (Source: PubChem)
  • PubChem CID: 11167602 (Source: PubChem)
  • SMILES String: CNC(=O)C1=NC=CC(=C1)OC2=CC(=C(C=C2)NC(=O)NC3=CC(=C(C=C3)Cl)C(F)(F)F)F (Source: PubChem)
  • Connectivity SMILES string: CNC(=O)C1=NC=CC(=C1)OC2=CC(=C(C=C2)NC(=O)NC3=CC(=C(C=C3)Cl)C(F)(F)F)F (Source: PubChem)
  • Standard InChIKey: FNHKPVJBJVTLMP-UHFFFAOYSA-N (Source: PubChem)
  • CAS Registry Number: 755037-03-7 (Source: PubChem)
  • ChEBI ID: CHEBI:68647 (Source: PubChem)
  • ChEMBL ID: CHEMBL1946170 (Source: PubChem)
  • CompTox Dashboard Compound ID: DTXCID60148932 (Source: PubChem)
  • CompTox Dashboard Substance ID: DTXSID60226441 (Source: PubChem)
  • Wikidata ID: Q3891664 (Source: PubChem)
  • WHO ATC Classification Drug Code: L01EX05 (Source: ChEMBL)
  • WHO ATC Classification Drug Name: Regorafenib (Source: ChEMBL)
  • British National Formulary: Regorafenib (Source: ChEMBL)
  • Connectivity SMILES string: CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)c(F)c2)ccn1 (Source: ChEMBL)
  • European Medicines Agency Name: Regorafenib (Source: ChEMBL)
  • International Nonproprietary Name: Regorafenib (Source: ChEMBL)
  • Japanese Adopted Name: Regorafenib hydrate (Source: ChEMBL)
  • Merck Index Name: Regorafenib (Source: ChEMBL)
  • Preferred Name: REGORAFENIB (Source: ChEMBL)
  • Standard InChI: InChI=1S/C21H15ClF4N4O3/c1-27-19(31)18-10-13(6-7-28-18)33-12-3-5-17(16(23)9-12)30-20(32)29-11-2-4-15(22)14(8-11)21(24,25)26/h2-10H,1H3,(H,27,31)(H2,29,30,32) (Source: ChEMBL)
  • Standard InChIKey: FNHKPVJBJVTLMP-UHFFFAOYSA-N (Source: ChEMBL)
  • US Adopted Name: Regorafenib (Source: ChEMBL)
  • US Pharmacopia Name: Regorafenib (Source: ChEMBL)
  • Data (32)

  • Molecule statistics: 0 (Source: PubChem)
  • Molecule statistics: 0 (Source: PubChem)
  • Thermodynamic parameters: 4.2 (Source: PubChem)
  • Molecule statistics: 1 (Source: PubChem)
  • Molecule statistics: 0 (Source: PubChem)
  • Molecule statistics: 0 (Source: PubChem)
  • Mass parameters: 482.0768807 Da (Source: PubChem)
  • Molecule statistics: 33 (Source: PubChem)
  • Molecule statistics: 8 (Source: PubChem)
  • Molecule statistics: 3 (Source: PubChem)
  • Molecule statistics: 0 (Source: PubChem)
  • Surface parameters: 0 (Source: PubChem)
  • Stuctural analysis: 686 (Source: PubChem)
  • Stuctural analysis: 336.2 (Source: PubChem)
  • Mass parameters: 482.8 g/mol (Source: PubChem)
  • Mass parameters: 482.0768807 Da (Source: PubChem)
  • Molecule statistics: 5 (Source: PubChem)
  • Surface parameters: 92.4 Ų (Source: PubChem)
  • Molecule statistics: 0 (Source: PubChem)
  • Molecule statistics: 0 (Source: PubChem)
  • Thermodynamic parameters: 3 (Source: ChEMBL)
  • Thermodynamic parameters: 5.69 (Source: ChEMBL)
  • Molecule statistics: 33 (Source: ChEMBL)
  • Molecule statistics: 4 (Source: ChEMBL)
  • Molecule statistics: 3 (Source: ChEMBL)
  • Mass parameters: 482.82 g/mol (Source: ChEMBL)
  • Mass parameters: 482.82 g/mol (Source: ChEMBL)
  • Molecule statistics: -1.82 (Source: ChEMBL)
  • Molecule statistics: 92.35 (Source: ChEMBL)
  • Molecule statistics: 0.41 (Source: ChEMBL)
  • Molecule statistics: 5 (Source: ChEMBL)
  • Molecule statistics: 1 (Source: ChEMBL)
  • Information (7)

  • Chemical formula: C21H15ClF4N4O3 (Source: PubChem)
  • Chirality: 2 (Source: ChEMBL)
  • Chemical formula: C21H15ClF4N4O3 (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)