1-(1-{2,6-dimethylimidazo[1,2-a]pyridine-3-carbonyl}azetidin-3-yl)-2-methylpiperidine

• ChemBase编号: 583326
• 分子式: C19H26N4O
• 平均质量: 326.43594
• 单一同位素质量: 326.21066147
• SMILES: c1(n2c(nc1C)ccc(c2)C)C(=O)N1CC(N2C(C)CCCC2)C1
• Canonical SMILES: Cc1ccc2n(c1)c(c(n2)C)C(=O)N1CC(C1)N1CCCCC1C
• InChI: InChI=1S/C19H26N4O/c1-13-7-8-17-20-15(3)18(23(17)10-13)19(24)21-11-16(12-21)22-9-5-4-6-14(22)2/h7-8,10,14,16H,4-6,9,11-12H2,1-3H3
• InChIKey: VJGRTIXUIIMFAS-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 1-(1-{2,6-dimethylimidazo[1,2-a]pyridine-3-carbonyl}azetidin-3-yl)-2-methylpiperidine
• IUPAC传统名: 1-(1-{2,6-dimethylimidazo[1,2-a]pyridine-3-carbonyl}azetidin-3-yl)-2-methylpiperidine
• 别名: 2,6-dimethyl-3-{[3-(2-methylpiperidin-1-yl)azetidin-1-yl]carbonyl}imidazo[1,2-a]pyridine

理论计算性质

JChem

• 质子受体: 3
• 质子供体: 0
• LogD (pH = 5.5): -0.5663474
• LogD (pH = 7.4): 1.2376932
• Log P: 1.7961624
• 摩尔折射率: 96.5995 cm^3
• 极化性: 36.295975 Å^3
• 极化表面积: 40.85 Å^2
• 可自由旋转的化学键: 2
• 里宾斯基五规则: true

Provided by Chembridge

• 质子受体: 3
• 质子供体: 0
• Log P: 2.51
• LOG S: -3.72
• 极化表面积: 40.85 Å^2
• 可自由旋转的化学键: 2