1-ethyl-5-[2-(4-methoxyphenyl)-1H,4H,5H,6H,7H-imidazo[4,5-c]pyridine-5-carbonyl]piperidin-2-one

• ChemBase ID: 386751
• Molecular Formular: C21H26N4O3
• Molecular Mass: 382.45614
• Monoisotopic Mass: 382.20049071
• SMILES: n1c2c([nH]c1c1ccc(cc1)OC)CCN(C(=O)C1CN(C(=O)CC1)CC)C2
• Canonical SMILES: CCN1CC(CCC1=O)C(=O)N1CCc2c(C1)nc([nH]2)c1ccc(cc1)OC
• InChI: InChI=1S/C21H26N4O3/c1-3-24-12-15(6-9-19(24)26)21(27)25-11-10-17-18(13-25)23-20(22-17)14-4-7-16(28-2)8-5-14/h4-5,7-8,15H,3,6,9-13H2,1-2H3,(H,22,23)
• InChIKey: MWAISYAJROIMAZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-ethyl-5-[2-(4-methoxyphenyl)-1H,4H,5H,6H,7H-imidazo[4,5-c]pyridine-5-carbonyl]piperidin-2-one
• IUPAC Traditional name: 1-ethyl-5-[2-(4-methoxyphenyl)-1H,4H,6H,7H-imidazo[4,5-c]pyridine-5-carbonyl]piperidin-2-one
• Synonyms: 1-ethyl-5-{[2-(4-methoxyphenyl)-1,4,6,7-tetrahydro-5H-imidazo[4,5-c]pyridin-5-yl]carbonyl}piperidin-2-one

CALCULATED PROPERTIES

JChem

• Acid pKa: 11.804601
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 0.4887786
• LogD (pH = 7.4): 0.74564856
• Log P: 0.750267
• Molar Refractivity: 116.1132 cm^3
• Polarizability: 41.13911 Å^3
• Polar Surface Area: 78.53 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 1.59
• LOG S: -3.35
• Polar Surface Area: 78.53 Å^2
• Rotatable Bonds: 4