3-(5-{[2-(cyclopentyloxy)phenyl]methyl}-1H,4H,5H,6H,7H-imidazo[4,5-c]pyridin-2-yl)pyridine

• ChemBase ID: 516884
• Molecular Formular: C23H26N4O
• Molecular Mass: 374.47874
• Monoisotopic Mass: 374.21066147
• SMILES: n1c([nH]c2c1CN(Cc1c(OC3CCCC3)cccc1)CC2)c1cnccc1
• Canonical SMILES: C1CCC(C1)Oc1ccccc1CN1CCc2c(C1)nc([nH]2)c1cccnc1
• InChI: InChI=1S/C23H26N4O/c1-4-10-22(28-19-8-2-3-9-19)18(6-1)15-27-13-11-20-21(16-27)26-23(25-20)17-7-5-12-24-14-17/h1,4-7,10,12,14,19H,2-3,8-9,11,13,15-16H2,(H,25,26)
• InChIKey: NTZFIWGSFSFUMH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(5-{[2-(cyclopentyloxy)phenyl]methyl}-1H,4H,5H,6H,7H-imidazo[4,5-c]pyridin-2-yl)pyridine
• IUPAC Traditional name: 3-(5-{[2-(cyclopentyloxy)phenyl]methyl}-1H,4H,6H,7H-imidazo[4,5-c]pyridin-2-yl)pyridine
• Synonyms: 5-[2-(cyclopentyloxy)benzyl]-2-pyridin-3-yl-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine

CALCULATED PROPERTIES

JChem

• Acid pKa: 11.965892
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 2.2336974
• LogD (pH = 7.4): 3.277301
• Log P: 3.337434
• Molar Refractivity: 120.7645 cm^3
• Polarizability: 43.363903 Å^3
• Polar Surface Area: 54.04 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 3.5
• LOG S: -3.91
• Polar Surface Area: 54.04 Å^2
• Rotatable Bonds: 5