{[8-methyl-2-(morpholine-4-carbonyl)imidazo[1,2-a]pyridin-3-yl]methyl}(2-{4-methyl-5H,6H,7H-cyclopenta[d]pyrimidin-2-yl}ethyl)amine

• ChemBase编号: 549240
• 分子式: C24H30N6O2
• 平均质量: 434.534
• 单一同位素质量: 434.24302423
• SMILES: c1(nc2n(c1CNCCc1nc3c(c(n1)C)CCC3)cccc2C)C(=O)N1CCOCC1
• Canonical SMILES: O=C(c1nc2n(c1CNCCc1nc(C)c3c(n1)CCC3)cccc2C)N1CCOCC1
• InChI: InChI=1S/C24H30N6O2/c1-16-5-4-10-30-20(22(28-23(16)30)24(31)29-11-13-32-14-12-29)15-25-9-8-21-26-17(2)18-6-3-7-19(18)27-21/h4-5,10,25H,3,6-9,11-15H2,1-2H3
• InChIKey: MHZMYQHCZZVAJM-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: {[8-methyl-2-(morpholine-4-carbonyl)imidazo[1,2-a]pyridin-3-yl]methyl}(2-{4-methyl-5H,6H,7H-cyclopenta[d]pyrimidin-2-yl}ethyl)amine
• IUPAC传统名: {[8-methyl-2-(morpholine-4-carbonyl)imidazo[1,2-a]pyridin-3-yl]methyl}(2-{4-methyl-5H,6H,7H-cyclopenta[d]pyrimidin-2-yl}ethyl)amine
• 别名: 2-(4-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl)-N-{[8-methyl-2-(4-morpholinylcarbonyl)imidazo[1,2-a]pyridin-3-yl]methyl}ethanamine

理论计算性质

JChem

• 质子受体: 6
• 质子供体: 1
• LogD (pH = 5.5): -1.0277135
• LogD (pH = 7.4): 0.7126357
• Log P: 1.7206414
• 摩尔折射率: 124.2133 cm^3
• 极化性: 46.41249 Å^3
• 极化表面积: 84.65 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: 7
• 质子供体: 1
• Log P: 1.2
• LOG S: -4.51
• 极化表面积: 84.65 Å^2
• 可自由旋转的化学键: 6