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

• ChemBase ID: 759566
• Molecular Formular: C20H28N4O
• Molecular Mass: 340.46252
• Monoisotopic Mass: 340.22631154
• SMILES: n1c2c([nH]c1c1cc(OC)ccc1)CCN(C2)C1CCN(CC1)CC
• Canonical SMILES: CCN1CCC(CC1)N1CCc2c(C1)nc([nH]2)c1cccc(c1)OC
• InChI: InChI=1S/C20H28N4O/c1-3-23-10-7-16(8-11-23)24-12-9-18-19(14-24)22-20(21-18)15-5-4-6-17(13-15)25-2/h4-6,13,16H,3,7-12,14H2,1-2H3,(H,21,22)
• InChIKey: XAARJGUKRKWVSK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 12.192881
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -2.114496
• LogD (pH = 7.4): -0.05616109
• Log P: 1.8595457
• Molar Refractivity: 112.0953 cm^3
• Polarizability: 39.874218 Å^3
• Polar Surface Area: 44.39 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: 3.02
• LOG S: -3.25
• Polar Surface Area: 44.39 Å^2
• Rotatable Bonds: 4