1-(2-fluorophenyl)-4-[2-(1H-pyrazol-4-yl)-1H,4H,5H,6H,7H-imidazo[4,5-c]pyridin-5-yl]piperidine

• ChemBase ID: 489679
• Molecular Formular: C20H23FN6
• Molecular Mass: 366.4352232
• Monoisotopic Mass: 366.19682299
• SMILES: c1(nc2c([nH]1)CCN(C2)C1CCN(c2c(F)cccc2)CC1)c1c[nH]nc1
• Canonical SMILES: Fc1ccccc1N1CCC(CC1)N1CCc2c(C1)nc([nH]2)c1c[nH]nc1
• InChI: InChI=1S/C20H23FN6/c21-16-3-1-2-4-19(16)26-8-5-15(6-9-26)27-10-7-17-18(13-27)25-20(24-17)14-11-22-23-12-14/h1-4,11-12,15H,5-10,13H2,(H,22,23)(H,24,25)
• InChIKey: JKVKPKZBWSIXPA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(2-fluorophenyl)-4-[2-(1H-pyrazol-4-yl)-1H,4H,5H,6H,7H-imidazo[4,5-c]pyridin-5-yl]piperidine
• IUPAC Traditional name: 1-(2-fluorophenyl)-4-[2-(1H-pyrazol-4-yl)-1H,4H,6H,7H-imidazo[4,5-c]pyridin-5-yl]piperidine
• Synonyms: 5-[1-(2-fluorophenyl)piperidin-4-yl]-2-(1H-pyrazol-4-yl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine

CALCULATED PROPERTIES

JChem

• Acid pKa: 11.576761
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): -0.1268779
• LogD (pH = 7.4): 1.5560955
• Log P: 1.9984151
• Molar Refractivity: 115.2858 cm^3
• Polarizability: 39.33132 Å^3
• Polar Surface Area: 63.84 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 2
• Log P: 2.65
• LOG S: -3.13
• Polar Surface Area: 63.84 Å^2
• Rotatable Bonds: 3