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

• ChemBase编号: 677439
• 分子式: C19H20N4O2
• 平均质量: 336.3877
• 单一同位素质量: 336.1586259
• SMILES: c1(nc2n(c1)cc(cc2)C)C(=O)N1CCC(CC1)Oc1cnccc1
• Canonical SMILES: Cc1ccc2n(c1)cc(n2)C(=O)N1CCC(CC1)Oc1cccnc1
• InChI: InChI=1S/C19H20N4O2/c1-14-4-5-18-21-17(13-23(18)12-14)19(24)22-9-6-15(7-10-22)25-16-3-2-8-20-11-16/h2-5,8,11-13,15H,6-7,9-10H2,1H3
• InChIKey: FFPMXWSKYQYXKD-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 3-[(1-{6-methylimidazo[1,2-a]pyridine-2-carbonyl}piperidin-4-yl)oxy]pyridine
• IUPAC传统名: 3-[(1-{6-methylimidazo[1,2-a]pyridine-2-carbonyl}piperidin-4-yl)oxy]pyridine
• 别名: 6-methyl-2-{[4-(3-pyridinyloxy)-1-piperidinyl]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): 1.3142002
• LogD (pH = 7.4): 1.3902913
• Log P: 1.3913523
• 摩尔折射率: 95.3047 cm^3
• 极化性: 35.74856 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: 1.57
• LOG S: -2.99
• 极化表面积: 59.73 Å^2
• 可自由旋转的化学键: 3