[2-(2-methyl-1H-indol-1-yl)ethyl]({[2-(morpholine-4-carbonyl)imidazo[1,2-a]pyridin-3-yl]methyl})amine

• ChemBase编号: 622956
• 分子式: C24H27N5O2
• 平均质量: 417.50348
• 单一同位素质量: 417.21647513
• SMILES: c1(nc2n(c1CNCCn1c(cc3c1cccc3)C)cccc2)C(=O)N1CCOCC1
• Canonical SMILES: O=C(c1nc2n(c1CNCCn1c(C)cc3c1cccc3)cccc2)N1CCOCC1
• InChI: InChI=1S/C24H27N5O2/c1-18-16-19-6-2-3-7-20(19)28(18)11-9-25-17-21-23(24(30)27-12-14-31-15-13-27)26-22-8-4-5-10-29(21)22/h2-8,10,16,25H,9,11-15,17H2,1H3
• InChIKey: UYCJRPZVILVHKU-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: [2-(2-methyl-1H-indol-1-yl)ethyl]({[2-(morpholine-4-carbonyl)imidazo[1,2-a]pyridin-3-yl]methyl})amine
• IUPAC传统名: [2-(2-methylindol-1-yl)ethyl]({[2-(morpholine-4-carbonyl)imidazo[1,2-a]pyridin-3-yl]methyl})amine
• 别名: 2-(2-methyl-1H-indol-1-yl)-N-{[2-(4-morpholinylcarbonyl)imidazo[1,2-a]pyridin-3-yl]methyl}ethanamine

理论计算性质

JChem

• 质子受体: 4
• 质子供体: 1
• LogD (pH = 5.5): -0.67234147
• LogD (pH = 7.4): 1.0379547
• Log P: 2.026962
• 摩尔折射率: 121.8581 cm^3
• 极化性: 46.986694 Å^3
• 极化表面积: 63.8 Å^2
• 可自由旋转的化学键: 6
• 里宾斯基五规则: true

Provided by Chembridge

• 质子受体: 6
• 质子供体: 1
• Log P: 2.59
• LOG S: -4.65
• 极化表面积: 63.8 Å^2
• 可自由旋转的化学键: 6