N-cyclohexyl-2-[2-(2,4-difluorophenyl)-1H,4H,5H,6H,7H-imidazo[4,5-c]pyridin-5-yl]acetamide

• ChemBase ID: 524938
• Molecular Formular: C20H24F2N4O
• Molecular Mass: 374.4275664
• Monoisotopic Mass: 374.19181785
• SMILES: c1(nc2c([nH]1)CCN(C2)CC(=O)NC1CCCCC1)c1c(cc(cc1)F)F
• Canonical SMILES: O=C(NC1CCCCC1)CN1CCc2c(C1)nc([nH]2)c1ccc(cc1F)F
• InChI: InChI=1S/C20H24F2N4O/c21-13-6-7-15(16(22)10-13)20-24-17-8-9-26(11-18(17)25-20)12-19(27)23-14-4-2-1-3-5-14/h6-7,10,14H,1-5,8-9,11-12H2,(H,23,27)(H,24,25)
• InChIKey: KDLQLQWIYZNNNB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-cyclohexyl-2-[2-(2,4-difluorophenyl)-1H,4H,5H,6H,7H-imidazo[4,5-c]pyridin-5-yl]acetamide
• IUPAC Traditional name: N-cyclohexyl-2-[2-(2,4-difluorophenyl)-1H,4H,6H,7H-imidazo[4,5-c]pyridin-5-yl]acetamide
• Synonyms: N-cyclohexyl-2-[2-(2,4-difluorophenyl)-1,4,6,7-tetrahydro-5H-imidazo[4,5-c]pyridin-5-yl]acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 11.793623
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 2.088642
• LogD (pH = 7.4): 2.6000316
• Log P: 2.612994
• Molar Refractivity: 109.6829 cm^3
• Polarizability: 38.20841 Å^3
• Polar Surface Area: 61.02 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 2
• Log P: 3.21
• LOG S: -4.67
• Polar Surface Area: 61.02 Å^2
• Rotatable Bonds: 4