2-(4-fluorophenyl)-1-{1H,4H,5H,6H,7H-imidazo[4,5-c]pyridin-5-yl}-2-(piperidin-1-yl)ethan-1-one

• ChemBase ID: 368966
• Molecular Formular: C19H23FN4O
• Molecular Mass: 342.4105232
• Monoisotopic Mass: 342.1855896
• SMILES: N1(C(=O)C(N2CCCCC2)c2ccc(cc2)F)Cc2c([nH]cn2)CC1
• Canonical SMILES: Fc1ccc(cc1)C(C(=O)N1CCc2c(C1)nc[nH]2)N1CCCCC1
• InChI: InChI=1S/C19H23FN4O/c20-15-6-4-14(5-7-15)18(23-9-2-1-3-10-23)19(25)24-11-8-16-17(12-24)22-13-21-16/h4-7,13,18H,1-3,8-12H2,(H,21,22)
• InChIKey: CCMVAFRWQJKCRS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(4-fluorophenyl)-1-{1H,4H,5H,6H,7H-imidazo[4,5-c]pyridin-5-yl}-2-(piperidin-1-yl)ethan-1-one
• IUPAC Traditional name: 2-(4-fluorophenyl)-1-{1H,4H,6H,7H-imidazo[4,5-c]pyridin-5-yl}-2-(piperidin-1-yl)ethanone
• Synonyms: 5-[(4-fluorophenyl)(piperidin-1-yl)acetyl]-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine

CALCULATED PROPERTIES

JChem

• Acid pKa: 12.444825
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -0.49817845
• LogD (pH = 7.4): 1.4572533
• Log P: 1.6567229
• Molar Refractivity: 94.7473 cm^3
• Polarizability: 36.08504 Å^3
• Polar Surface Area: 52.23 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: 2.17
• LOG S: -3.55
• Polar Surface Area: 52.23 Å^2
• Rotatable Bonds: 3