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

• ChemBase ID: 567191
• Molecular Formular: C21H20N4O3
• Molecular Mass: 376.4085
• Monoisotopic Mass: 376.15354052
• SMILES: n1c2c([nH]c1c1ccc(cc1)OC)CCN(C(=O)C(=O)Nc1ccccc1)C2
• Canonical SMILES: COc1ccc(cc1)c1nc2c([nH]1)CCN(C2)C(=O)C(=O)Nc1ccccc1
• InChI: InChI=1S/C21H20N4O3/c1-28-16-9-7-14(8-10-16)19-23-17-11-12-25(13-18(17)24-19)21(27)20(26)22-15-5-3-2-4-6-15/h2-10H,11-13H2,1H3,(H,22,26)(H,23,24)
• InChIKey: VGDZAEDBKOPQBM-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]-2-oxo-N-phenylacetamide
• IUPAC Traditional name: 2-[2-(4-methoxyphenyl)-1H,4H,6H,7H-imidazo[4,5-c]pyridin-5-yl]-2-oxo-N-phenylacetamide
• Synonyms: 2-[2-(4-methoxyphenyl)-1,4,6,7-tetrahydro-5H-imidazo[4,5-c]pyridin-5-yl]-2-oxo-N-phenylacetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 11.152377
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 1.8353591
• LogD (pH = 7.4): 2.0920498
• Log P: 2.096722
• Molar Refractivity: 116.239 cm^3
• Polarizability: 40.396053 Å^3
• Polar Surface Area: 87.32 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: 1.9
• LOG S: -3.57
• Polar Surface Area: 87.32 Å^2
• Rotatable Bonds: 4