3,5-difluoro-N-{5H,6H,7H,8H-imidazo[1,2-a]pyridin-3-yl}-4-methoxybenzamide

• ChemBase ID: 438887
• Molecular Formular: C15H15F2N3O2
• Molecular Mass: 307.2953064
• Monoisotopic Mass: 307.11323318
• SMILES: c1(n2c(nc1)CCCC2)NC(=O)c1cc(c(c(c1)F)OC)F
• Canonical SMILES: COc1c(F)cc(cc1F)C(=O)Nc1cnc2n1CCCC2
• InChI: InChI=1S/C15H15F2N3O2/c1-22-14-10(16)6-9(7-11(14)17)15(21)19-13-8-18-12-4-2-3-5-20(12)13/h6-8H,2-5H2,1H3,(H,19,21)
• InChIKey: IEALINWYLGKRAB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3,5-difluoro-N-{5H,6H,7H,8H-imidazo[1,2-a]pyridin-3-yl}-4-methoxybenzamide
• IUPAC Traditional name: 3,5-difluoro-N-{5H,6H,7H,8H-imidazo[1,2-a]pyridin-3-yl}-4-methoxybenzamide
• Synonyms: 3,5-difluoro-4-methoxy-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)benzamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 11.878005
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.516311
• LogD (pH = 7.4): 2.1531353
• Log P: 2.1819966
• Molar Refractivity: 77.5293 cm^3
• Polarizability: 28.236177 Å^3
• Polar Surface Area: 56.15 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 2.37
• LOG S: -3.46
• Polar Surface Area: 56.15 Å^2
• Rotatable Bonds: 3