3-[(1-{2-methylimidazo[1,2-a]pyridine-6-carbonyl}piperidin-4-yl)oxy]pyridine

• ChemBase编号: 525742
• 分子式: C19H20N4O2
• 平均质量: 336.3877
• 单一同位素质量: 336.1586259
• SMILES: c1(C(=O)N2CCC(CC2)Oc2cnccc2)cn2c(nc(c2)C)cc1
• Canonical SMILES: Cc1cn2c(n1)ccc(c2)C(=O)N1CCC(CC1)Oc1cccnc1
• InChI: InChI=1S/C19H20N4O2/c1-14-12-23-13-15(4-5-18(23)21-14)19(24)22-9-6-16(7-10-22)25-17-3-2-8-20-11-17/h2-5,8,11-13,16H,6-7,9-10H2,1H3
• InChIKey: TVZZYTHAKQTYAP-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 3-[(1-{2-methylimidazo[1,2-a]pyridine-6-carbonyl}piperidin-4-yl)oxy]pyridine
• IUPAC传统名: 3-[(1-{2-methylimidazo[1,2-a]pyridine-6-carbonyl}piperidin-4-yl)oxy]pyridine
• 别名: 2-methyl-6-{[4-(pyridin-3-yloxy)piperidin-1-yl]carbonyl}imidazo[1,2-a]pyridine

理论计算性质

JChem

• 质子受体: 4
• 质子供体: 0
• LogD (pH = 5.5): -0.095501944
• LogD (pH = 7.4): 0.6018528
• Log P: 0.6234508
• 摩尔折射率: 95.227 cm^3
• 极化性: 35.74468 Å^3
• 极化表面积: 59.73 Å^2
• 可自由旋转的化学键: 3
• 里宾斯基五规则: true

Provided by Chembridge

• 质子受体: 4
• 质子供体: 0
• Log P: 1.21
• LOG S: -2.69
• 极化表面积: 59.73 Å^2
• 可自由旋转的化学键: 3