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

• ChemBase ID: 778318
• Molecular Formular: C20H24N4O
• Molecular Mass: 336.43076
• Monoisotopic Mass: 336.19501141
• SMILES: c1(n2c(nc1C)cccc2)CN1CCC(C(c2ncccc2)O)CC1
• Canonical SMILES: OC(c1ccccn1)C1CCN(CC1)Cc1c(C)nc2n1cccc2
• InChI: InChI=1S/C20H24N4O/c1-15-18(24-11-5-3-7-19(24)22-15)14-23-12-8-16(9-13-23)20(25)17-6-2-4-10-21-17/h2-7,10-11,16,20,25H,8-9,12-14H2,1H3
• InChIKey: NRHBRRJZPVUEED-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.552054
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -1.4813
• LogD (pH = 7.4): 0.48815367
• Log P: 1.3312067
• Molar Refractivity: 99.1692 cm^3
• Polarizability: 38.051445 Å^3
• Polar Surface Area: 53.66 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: 1.35
• LOG S: -0.5
• Polar Surface Area: 53.66 Å^2
• Rotatable Bonds: 4