3-[2-(2,4-difluorophenyl)-1H,4H,5H,6H,7H-imidazo[4,5-c]pyridine-5-carbonyl]pyridine

• ChemBase ID: 497423
• Molecular Formular: C18H14F2N4O
• Molecular Mass: 340.3267664
• Monoisotopic Mass: 340.11356753
• SMILES: c1(nc2c([nH]1)CCN(C(=O)c1cnccc1)C2)c1c(cc(cc1)F)F
• Canonical SMILES: Fc1ccc(c(c1)F)c1nc2c([nH]1)CCN(C2)C(=O)c1cccnc1
• InChI: InChI=1S/C18H14F2N4O/c19-12-3-4-13(14(20)8-12)17-22-15-5-7-24(10-16(15)23-17)18(25)11-2-1-6-21-9-11/h1-4,6,8-9H,5,7,10H2,(H,22,23)
• InChIKey: HKOYMAYGTDXOGW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-[2-(2,4-difluorophenyl)-1H,4H,5H,6H,7H-imidazo[4,5-c]pyridine-5-carbonyl]pyridine
• IUPAC Traditional name: 3-[2-(2,4-difluorophenyl)-1H,4H,6H,7H-imidazo[4,5-c]pyridine-5-carbonyl]pyridine
• Synonyms: 2-(2,4-difluorophenyl)-5-(pyridin-3-ylcarbonyl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine

CALCULATED PROPERTIES

JChem

• Acid pKa: 11.2719965
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.6591479
• LogD (pH = 7.4): 1.7805647
• Log P: 1.7824031
• Molar Refractivity: 98.65 cm^3
• Polarizability: 33.10681 Å^3
• Polar Surface Area: 61.88 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 0.71
• LOG S: -2.29
• Polar Surface Area: 61.88 Å^2
• Rotatable Bonds: 2