4-{1H,4H,5H,6H,7H-imidazo[4,5-c]pyridine-5-carbonyl}-1-(3-methoxybenzoyl)piperidine

• ChemBase ID: 330995
• Molecular Formular: C20H24N4O3
• Molecular Mass: 368.42956
• Monoisotopic Mass: 368.18484065
• SMILES: N1(C(=O)C2CCN(C(=O)c3cc(OC)ccc3)CC2)Cc2c([nH]cn2)CC1
• Canonical SMILES: COc1cccc(c1)C(=O)N1CCC(CC1)C(=O)N1CCc2c(C1)nc[nH]2
• InChI: InChI=1S/C20H24N4O3/c1-27-16-4-2-3-15(11-16)20(26)23-8-5-14(6-9-23)19(25)24-10-7-17-18(12-24)22-13-21-17/h2-4,11,13-14H,5-10,12H2,1H3,(H,21,22)
• InChIKey: YRVPBRRDWGBHKW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-{1H,4H,5H,6H,7H-imidazo[4,5-c]pyridine-5-carbonyl}-1-(3-methoxybenzoyl)piperidine
• IUPAC Traditional name: 4-{1H,4H,6H,7H-imidazo[4,5-c]pyridine-5-carbonyl}-1-(3-methoxybenzoyl)piperidine
• Synonyms: 5-{[1-(3-methoxybenzoyl)piperidin-4-yl]carbonyl}-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine

CALCULATED PROPERTIES

JChem

• Acid pKa: 12.444836
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -0.2855558
• LogD (pH = 7.4): 0.22907892
• Log P: 0.2457503
• Molar Refractivity: 101.7332 cm^3
• Polarizability: 38.432865 Å^3
• Polar Surface Area: 78.53 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 0.51
• LOG S: -2.32
• Polar Surface Area: 78.53 Å^2
• Rotatable Bonds: 3