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

• ChemBase ID: 573141
• Molecular Formular: C20H22N4O2
• Molecular Mass: 350.41428
• Monoisotopic Mass: 350.17427596
• SMILES: N1(C(c2c([nH]cn2)CC1)c1ncccc1)Cc1c(ccc(c1)OC)OC
• Canonical SMILES: COc1ccc(c(c1)CN1CCc2c(C1c1ccccn1)nc[nH]2)OC
• InChI: InChI=1S/C20H22N4O2/c1-25-15-6-7-18(26-2)14(11-15)12-24-10-8-16-19(23-13-22-16)20(24)17-5-3-4-9-21-17/h3-7,9,11,13,20H,8,10,12H2,1-2H3,(H,22,23)
• InChIKey: WGTOEDKPSWJOAQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 12.9194765
• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): 1.3673552
• LogD (pH = 7.4): 2.0814805
• Log P: 2.1225705
• Molar Refractivity: 99.6988 cm^3
• Polarizability: 38.540497 Å^3
• Polar Surface Area: 63.27 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 1
• Log P: 0.81
• LOG S: -0.14
• Polar Surface Area: 63.27 Å^2
• Rotatable Bonds: 5