1-[4-bromo-5-[1-ethyl-7-(methylamino)-2-oxo-1,6-naphthyridin-3-yl]-2-fluorophenyl]-3-phenylurea

  • Description:
  • Formula: C24H21BrFN5O2
  • Molar mass: 510.4 g mol-1
  • InChI Key: CEFJVGZHQAGLHS-UHFFFAOYSA-N
1-[4-bromo-5-[1-ethyl-7-(methylamino)-2-oxo-1,6-naphthyridin-3-yl]-2-fluorophenyl]-3-phenylurea

Identifiers (20)

  • Standard InChI: InChI=1S/C24H21BrFN5O2/c1-3-31-21-12-22(27-2)28-13-14(21)9-17(23(31)32)16-10-20(19(26)11-18(16)25)30-24(33)29-15-7-5-4-6-8-15/h4-13H,3H2,1-2H3,(H,27,28)(H2,29,30,33) (Source: PubChem)
  • IUPAC Name: 1-[4-bromo-5-[1-ethyl-7-(methylamino)-2-oxo-1,6-naphthyridin-3-yl]-2-fluorophenyl]-3-phenylurea (Source: PubChem)
  • PubChem CID: 71584930 (Source: PubChem)
  • SMILES String: CCN1C2=CC(=NC=C2C=C(C1=O)C3=CC(=C(C=C3Br)F)NC(=O)NC4=CC=CC=C4)NC (Source: PubChem)
  • CAS Registry Number: ['1442472-39-0', '1442472-39-0'] (Source: PubChem)
  • Connectivity SMILES string: CCN1C2=CC(=NC=C2C=C(C1=O)C3=CC(=C(C=C3Br)F)NC(=O)NC4=CC=CC=C4)NC (Source: PubChem)
  • Standard InChIKey: CEFJVGZHQAGLHS-UHFFFAOYSA-N (Source: PubChem)
  • CAS Registry Number: 1442472-39-0 (Source: PubChem)
  • ChEMBL ID: CHEMBL4216467 (Source: PubChem)
  • CompTox Dashboard Compound ID: DTXCID101513524 (Source: PubChem)
  • CompTox Dashboard Substance ID: DTXSID201027956 (Source: PubChem)
  • WHO ATC Classification Drug Code: L01EX19 (Source: ChEMBL)
  • WHO ATC Classification Drug Name: Ripretinib (Source: ChEMBL)
  • Connectivity SMILES string: CCn1c(=O)c(-c2cc(NC(=O)Nc3ccccc3)c(F)cc2Br)cc2cnc(NC)cc21 (Source: ChEMBL)
  • European Medicines Agency Name: Ripretinib (Source: ChEMBL)
  • International Nonproprietary Name: Ripretinib (Source: ChEMBL)
  • Preferred Name: RIPRETINIB (Source: ChEMBL)
  • Standard InChI: InChI=1S/C24H21BrFN5O2/c1-3-31-21-12-22(27-2)28-13-14(21)9-17(23(31)32)16-10-20(19(26)11-18(16)25)30-24(33)29-15-7-5-4-6-8-15/h4-13H,3H2,1-2H3,(H,27,28)(H2,29,30,33) (Source: ChEMBL)
  • Standard InChIKey: CEFJVGZHQAGLHS-UHFFFAOYSA-N (Source: ChEMBL)
  • US Adopted Name: Ripretinib (Source: ChEMBL)

    • Sources: PubChem (11) ChEMBL (9)

    Data (40)

  • Mass parameters: 509.08627 (Source: PubChem)
  • Surface parameters: 86.4 (Source: PubChem)
  • Thermodynamic parameters: 4.1 (Source: PubChem)
  • Molecule statistics: 3 (Source: PubChem)
  • Molecule statistics: 5 (Source: PubChem)
  • Surface parameters: 33 (Source: PubChem)
  • Molecule statistics: 0 (Source: PubChem)
  • Stuctural analysis: 746 (Source: PubChem)
  • Molecule statistics: 0 (Source: PubChem)
  • Molecule statistics: 0 (Source: PubChem)
  • Thermodynamic parameters: 4.1 (Source: PubChem)
  • Molecule statistics: 1 (Source: PubChem)
  • Molecule statistics: 0 (Source: PubChem)
  • Molecule statistics: 0 (Source: PubChem)
  • Mass parameters: 509.08627 Da (Source: PubChem)
  • Molecule statistics: 33 (Source: PubChem)
  • Molecule statistics: 5 (Source: PubChem)
  • Molecule statistics: 3 (Source: PubChem)
  • Molecule statistics: 0 (Source: PubChem)
  • Surface parameters: 0 (Source: PubChem)
  • Stuctural analysis: 746 (Source: PubChem)
  • Stuctural analysis: 357.9 (Source: PubChem)
  • Mass parameters: 510.4 g/mol (Source: PubChem)
  • Mass parameters: 509.08627 Da (Source: PubChem)
  • Molecule statistics: 5 (Source: PubChem)
  • Surface parameters: 86.4 Ų (Source: PubChem)
  • Molecule statistics: 0 (Source: PubChem)
  • Molecule statistics: 0 (Source: PubChem)
  • Thermodynamic parameters: 4 (Source: ChEMBL)
  • Thermodynamic parameters: 5.67 (Source: ChEMBL)
  • Molecule statistics: 33 (Source: ChEMBL)
  • Molecule statistics: 5 (Source: ChEMBL)
  • Molecule statistics: 3 (Source: ChEMBL)
  • Mass parameters: 510.37 g/mol (Source: ChEMBL)
  • Mass parameters: 510.37 g/mol (Source: ChEMBL)
  • Molecule statistics: -1.53 (Source: ChEMBL)
  • Molecule statistics: 88.05 (Source: ChEMBL)
  • Molecule statistics: 0.32 (Source: ChEMBL)
  • Molecule statistics: 5 (Source: ChEMBL)
  • Molecule statistics: 2 (Source: ChEMBL)

    • Sources: PubChem (28) ChEMBL (12)

    Information (7)

  • Chemical formula: C24H21BrFN5O2 (Source: PubChem)
  • Chirality: 2 (Source: ChEMBL)
  • Chemical formula: C24H21BrFN5O2 (Source: ChEMBL)
  • Molecule type: Small molecule (Source: ChEMBL)
  • Passes the rule of three : N (Source: ChEMBL)
  • USAN STEM Defintion: retinol derivatives; tyrosine kinase inhibitors (Source: ChEMBL)
  • USAN STEM: -retin-; -tinib (Source: ChEMBL)

    • Sources: PubChem (1) ChEMBL (6)