3-fluoro-N-[(8-methoxyquinolin-5-yl)methyl]-N-methylimidazo[1,2-a]pyridine-2-carboxamide

• ChemBase ID: 865838
• Molecular Formular: C20H17FN4O2
• Molecular Mass: 364.3729832
• Monoisotopic Mass: 364.13355402
• SMILES: c1(c(n2c(n1)cccc2)F)C(=O)N(Cc1c2c(nccc2)c(cc1)OC)C
• Canonical SMILES: COc1ccc(c2c1nccc2)CN(C(=O)c1nc2n(c1F)cccc2)C
• InChI: InChI=1S/C20H17FN4O2/c1-24(20(26)18-19(21)25-11-4-3-7-16(25)23-18)12-13-8-9-15(27-2)17-14(13)6-5-10-22-17/h3-11H,12H2,1-2H3
• InChIKey: QFIQDEJRUDDUDN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-fluoro-N-[(8-methoxyquinolin-5-yl)methyl]-N-methylimidazo[1,2-a]pyridine-2-carboxamide
• IUPAC Traditional name: 3-fluoro-N-[(8-methoxyquinolin-5-yl)methyl]-N-methylimidazo[1,2-a]pyridine-2-carboxamide
• Synonyms: 3-fluoro-N-[(8-methoxy-5-quinolinyl)methyl]-N-methylimidazo[1,2-a]pyridine-2-carboxamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 2.198807
• LogD (pH = 7.4): 2.1993084
• Log P: 2.1993148
• Molar Refractivity: 99.6042 cm^3
• Polarizability: 38.19176 Å^3
• Polar Surface Area: 59.73 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 1.26
• LOG S: -4.04
• Polar Surface Area: 59.73 Å^2
• Rotatable Bonds: 4