1-({2-methylimidazo[1,2-a]pyridin-3-yl}methyl)-4-(pyridin-3-yl)piperidin-4-ol

• ChemBase ID: 863399
• Molecular Formular: C19H22N4O
• Molecular Mass: 322.40418
• Monoisotopic Mass: 322.17936134
• SMILES: c1(n2c(nc1C)cccc2)CN1CCC(c2cnccc2)(CC1)O
• Canonical SMILES: Cc1nc2n(c1CN1CCC(CC1)(O)c1cccnc1)cccc2
• InChI: InChI=1S/C19H22N4O/c1-15-17(23-10-3-2-6-18(23)21-15)14-22-11-7-19(24,8-12-22)16-5-4-9-20-13-16/h2-6,9-10,13,24H,7-8,11-12,14H2,1H3
• InChIKey: JYUFRNIEPKVIKU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-({2-methylimidazo[1,2-a]pyridin-3-yl}methyl)-4-(pyridin-3-yl)piperidin-4-ol
• IUPAC Traditional name: 1-({2-methylimidazo[1,2-a]pyridin-3-yl}methyl)-4-(pyridin-3-yl)piperidin-4-ol
• Synonyms: 1-[(2-methylimidazo[1,2-a]pyridin-3-yl)methyl]-4-pyridin-3-ylpiperidin-4-ol

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.787229
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -2.1917844
• LogD (pH = 7.4): -0.23320429
• Log P: 0.50094646
• Molar Refractivity: 95.0177 cm^3
• Polarizability: 36.20636 Å^3
• Polar Surface Area: 53.66 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: 0.34
• LOG S: -0.83
• Polar Surface Area: 53.66 Å^2
• Rotatable Bonds: 3