7-(cyclobutylmethyl)-2-{8-methylimidazo[1,2-a]pyridine-2-carbonyl}-2,7-diazaspiro[4.5]decan-6-one

• ChemBase编号: 701020
• 分子式: C22H28N4O2
• 平均质量: 380.48332
• 单一同位素质量: 380.22122616
• SMILES: c1(nc2n(c1)cccc2C)C(=O)N1CC2(C(=O)N(CC3CCC3)CCC2)CC1
• Canonical SMILES: O=C1N(CCCC21CCN(C2)C(=O)c1cn2c(n1)c(C)ccc2)CC1CCC1
• InChI: InChI=1S/C22H28N4O2/c1-16-5-3-10-24-14-18(23-19(16)24)20(27)26-12-9-22(15-26)8-4-11-25(21(22)28)13-17-6-2-7-17/h3,5,10,14,17H,2,4,6-9,11-13,15H2,1H3
• InChIKey: YSJWUBANBAGLQN-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 7-(cyclobutylmethyl)-2-{8-methylimidazo[1,2-a]pyridine-2-carbonyl}-2,7-diazaspiro[4.5]decan-6-one
• IUPAC传统名: 7-(cyclobutylmethyl)-2-{8-methylimidazo[1,2-a]pyridine-2-carbonyl}-2,7-diazaspiro[4.5]decan-6-one
• 别名: 7-(cyclobutylmethyl)-2-[(8-methylimidazo[1,2-a]pyridin-2-yl)carbonyl]-2,7-diazaspiro[4.5]decan-6-one

理论计算性质

JChem

• 质子受体: 3
• 质子供体: 0
• LogD (pH = 5.5): 2.1258514
• LogD (pH = 7.4): 2.1337667
• Log P: 2.1338685
• 摩尔折射率: 108.6333 cm^3
• 极化性: 40.862976 Å^3
• 极化表面积: 57.92 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: 3
• 质子供体: 0
• Log P: 1.97
• LOG S: -3.66
• 极化表面积: 57.92 Å^2
• 可自由旋转的化学键: 3