3-[[3-fluoro-2-(methylsulfamoylamino)-4-pyridinyl]methyl]-4-methyl-7-pyrimidin-2-yloxychromen-2-one

  • Description:
  • Formula: C21H18FN5O5S
  • Molar mass: 471.5 g mol-1
  • InChI Key: LMMJFBMMJUMSJS-UHFFFAOYSA-N
3-[[3-fluoro-2-(methylsulfamoylamino)-4-pyridinyl]methyl]-4-methyl-7-pyrimidin-2-yloxychromen-2-one

Identifiers (10)

  • Standard InChI: InChI=1S/C21H18FN5O5S/c1-12-15-5-4-14(31-21-25-7-3-8-26-21)11-17(15)32-20(28)16(12)10-13-6-9-24-19(18(13)22)27-33(29,30)23-2/h3-9,11,23H,10H2,1-2H3,(H,24,27) (Source: PubChem)
  • IUPAC Name: 3-[[3-fluoro-2-(methylsulfamoylamino)-4-pyridinyl]methyl]-4-methyl-7-pyrimidin-2-yloxychromen-2-one (Source: PubChem)
  • PubChem CID: 16719221 (Source: PubChem)
  • SMILES String: CC1=C(C(=O)OC2=C1C=CC(=C2)OC3=NC=CC=N3)CC4=C(C(=NC=C4)NS(=O)(=O)NC)F (Source: PubChem)
  • Connectivity SMILES string: CNS(=O)(=O)Nc1nccc(Cc2c(C)c3ccc(Oc4ncccn4)cc3oc2=O)c1F (Source: ChEMBL)
  • International Nonproprietary Name: Avutometinib (Source: ChEMBL)
  • Preferred Name: AVUTOMETINIB (Source: ChEMBL)
  • Standard InChI: InChI=1S/C21H18FN5O5S/c1-12-15-5-4-14(31-21-25-7-3-8-26-21)11-17(15)32-20(28)16(12)10-13-6-9-24-19(18(13)22)27-33(29,30)23-2/h3-9,11,23H,10H2,1-2H3,(H,24,27) (Source: ChEMBL)
  • Standard InChIKey: LMMJFBMMJUMSJS-UHFFFAOYSA-N (Source: ChEMBL)
  • US Adopted Name: Avutometinib (Source: ChEMBL)

    • Sources: PubChem (4) ChEMBL (6)

    Data (19)

  • Mass parameters: 471.10126803 (Source: PubChem)
  • Surface parameters: 141 (Source: PubChem)
  • Thermodynamic parameters: 2 (Source: PubChem)
  • Molecule statistics: 11 (Source: PubChem)
  • Surface parameters: 33 (Source: PubChem)
  • Molecule statistics: 0 (Source: PubChem)
  • Molecule statistics: 7 (Source: PubChem)
  • Stuctural analysis: 844 (Source: PubChem)
  • Thermodynamic parameters: 4 (Source: ChEMBL)
  • Thermodynamic parameters: 2.68 (Source: ChEMBL)
  • Molecule statistics: 33 (Source: ChEMBL)
  • Molecule statistics: 8 (Source: ChEMBL)
  • Molecule statistics: 2 (Source: ChEMBL)
  • Mass parameters: 471.47 g/mol (Source: ChEMBL)
  • Mass parameters: 471.47 g/mol (Source: ChEMBL)
  • Molecule statistics: -0.97 (Source: ChEMBL)
  • Molecule statistics: 136.31 (Source: ChEMBL)
  • Molecule statistics: 0.39 (Source: ChEMBL)
  • Molecule statistics: 7 (Source: ChEMBL)

    • Sources: PubChem (8) ChEMBL (11)

    Information (6)

  • Chirality: 2 (Source: ChEMBL)
  • Chemical formula: C21H18FN5O5S (Source: ChEMBL)
  • Molecule type: Small molecule (Source: ChEMBL)
  • Passes the rule of three : N (Source: ChEMBL)
  • USAN STEM Defintion: tyrosine kinase inhibitors: tyrosine kinase inhibitors; MEK (MAPK kinase) inhibitors (Source: ChEMBL)
  • USAN STEM: -tinib (Source: ChEMBL)

    • Sources: ChEMBL (6)