2-methoxy-3-[2-(4-methoxyphenyl)-1H,4H,5H,6H,7H-imidazo[4,5-c]pyridine-5-carbonyl]pyridine

• ChemBase ID: 446251
• Molecular Formular: C20H20N4O3
• Molecular Mass: 364.3978
• Monoisotopic Mass: 364.15354052
• SMILES: n1c2c([nH]c1c1ccc(cc1)OC)CCN(C(=O)c1c(nccc1)OC)C2
• Canonical SMILES: COc1ccc(cc1)c1nc2c([nH]1)CCN(C2)C(=O)c1cccnc1OC
• InChI: InChI=1S/C20H20N4O3/c1-26-14-7-5-13(6-8-14)18-22-16-9-11-24(12-17(16)23-18)20(25)15-4-3-10-21-19(15)27-2/h3-8,10H,9,11-12H2,1-2H3,(H,22,23)
• InChIKey: NNZBKQFUPDQXJO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-methoxy-3-[2-(4-methoxyphenyl)-1H,4H,5H,6H,7H-imidazo[4,5-c]pyridine-5-carbonyl]pyridine
• IUPAC Traditional name: 2-methoxy-3-[2-(4-methoxyphenyl)-1H,4H,6H,7H-imidazo[4,5-c]pyridine-5-carbonyl]pyridine
• Synonyms: 2-(4-methoxyphenyl)-5-[(2-methoxypyridin-3-yl)carbonyl]-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine

CALCULATED PROPERTIES

JChem

• Acid pKa: 11.80445
• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): 1.5146664
• LogD (pH = 7.4): 1.7714975
• Log P: 1.7761142
• Molar Refractivity: 111.4571 cm^3
• Polarizability: 38.770332 Å^3
• Polar Surface Area: 80.34 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 1
• Log P: 1.94
• LOG S: -3.51
• Polar Surface Area: 80.34 Å^2
• Rotatable Bonds: 4