2-[2-(4-methoxyphenyl)-1H,4H,5H,6H,7H-imidazo[4,5-c]pyridin-5-yl]acetamide

• ChemBase ID: 641763
• Molecular Formular: C15H18N4O2
• Molecular Mass: 286.32902
• Monoisotopic Mass: 286.14297584
• SMILES: n1c2c([nH]c1c1ccc(cc1)OC)CCN(C2)CC(=O)N
• Canonical SMILES: COc1ccc(cc1)c1nc2c([nH]1)CCN(C2)CC(=O)N
• InChI: InChI=1S/C15H18N4O2/c1-21-11-4-2-10(3-5-11)15-17-12-6-7-19(9-14(16)20)8-13(12)18-15/h2-5H,6-9H2,1H3,(H2,16,20)(H,17,18)
• InChIKey: MZYHHIUOQXVYHR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-[2-(4-methoxyphenyl)-1H,4H,5H,6H,7H-imidazo[4,5-c]pyridin-5-yl]acetamide
• IUPAC Traditional name: 2-[2-(4-methoxyphenyl)-1H,4H,6H,7H-imidazo[4,5-c]pyridin-5-yl]acetamide
• Synonyms: 2-[2-(4-methoxyphenyl)-1,4,6,7-tetrahydro-5H-imidazo[4,5-c]pyridin-5-yl]acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 12.323848
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): -0.5400154
• LogD (pH = 7.4): 0.12491273
• Log P: 0.1469723
• Molar Refractivity: 89.8024 cm^3
• Polarizability: 31.052315 Å^3
• Polar Surface Area: 84.24 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 2
• Log P: 0.74
• LOG S: -1.92
• Polar Surface Area: 84.24 Å^2
• Rotatable Bonds: 4