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

• ChemBase ID: 445214
• Molecular Formular: C21H28N4O2
• Molecular Mass: 368.47262
• Monoisotopic Mass: 368.22122616
• SMILES: n1c2c([nH]c1c1cc(OC)ccc1)CCN(C(=O)C1N(CC)CCCC1)C2
• Canonical SMILES: CCN1CCCCC1C(=O)N1CCc2c(C1)nc([nH]2)c1cccc(c1)OC
• InChI: InChI=1S/C21H28N4O2/c1-3-24-11-5-4-9-19(24)21(26)25-12-10-17-18(14-25)23-20(22-17)15-7-6-8-16(13-15)27-2/h6-8,13,19H,3-5,9-12,14H2,1-2H3,(H,22,23)
• InChIKey: VQNCITPGZPNGEQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 11.679255
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -0.5773834
• LogD (pH = 7.4): 1.3144137
• Log P: 2.013455
• Molar Refractivity: 116.2317 cm^3
• Polarizability: 41.45586 Å^3
• Polar Surface Area: 61.46 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: 2.7
• LOG S: -4.19
• Polar Surface Area: 61.46 Å^2
• Rotatable Bonds: 4