N-{[8-methyl-2-(morpholine-4-carbonyl)imidazo[1,2-a]pyridin-3-yl]methyl}-2,3-dihydro-1H-inden-2-amine

• ChemBase编号: 455306
• 分子式: C23H26N4O2
• 平均质量: 390.47814
• 单一同位素质量: 390.20557609
• SMILES: c1(nc2n(c1CNC1Cc3c(C1)cccc3)cccc2C)C(=O)N1CCOCC1
• Canonical SMILES: O=C(c1nc2n(c1CNC1Cc3c(C1)cccc3)cccc2C)N1CCOCC1
• InChI: InChI=1S/C23H26N4O2/c1-16-5-4-8-27-20(15-24-19-13-17-6-2-3-7-18(17)14-19)21(25-22(16)27)23(28)26-9-11-29-12-10-26/h2-8,19,24H,9-15H2,1H3
• InChIKey: ASHWQDLMOXUDBW-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: N-{[8-methyl-2-(morpholine-4-carbonyl)imidazo[1,2-a]pyridin-3-yl]methyl}-2,3-dihydro-1H-inden-2-amine
• IUPAC传统名: N-{[8-methyl-2-(morpholine-4-carbonyl)imidazo[1,2-a]pyridin-3-yl]methyl}-2,3-dihydro-1H-inden-2-amine
• 别名: 2,3-dihydro-1H-inden-2-yl{[8-methyl-2-(4-morpholinylcarbonyl)imidazo[1,2-a]pyridin-3-yl]methyl}amine

理论计算性质

JChem

• 质子受体: 4
• 质子供体: 1
• LogD (pH = 5.5): -0.65092134
• LogD (pH = 7.4): 0.89750975
• Log P: 2.329453
• 摩尔折射率: 114.0248 cm^3
• 极化性: 42.818874 Å^3
• 极化表面积: 58.87 Å^2
• 可自由旋转的化学键: 4
• 里宾斯基五规则: true

Provided by Chembridge

• 质子受体: 5
• 质子供体: 1
• Log P: 2.03
• LOG S: -4.06
• 极化表面积: 58.87 Å^2
• 可自由旋转的化学键: 4