7-(3-methoxypropyl)-2-({2-methylimidazo[1,2-a]pyridin-3-yl}methyl)-2,7-diazaspiro[4.5]decan-6-one

• ChemBase编号: 611415
• 分子式: C21H30N4O2
• 平均质量: 370.4885
• 单一同位素质量: 370.23687622
• SMILES: c1(n2c(nc1C)cccc2)CN1CC2(C(=O)N(CCCOC)CCC2)CC1
• Canonical SMILES: COCCCN1CCCC2(C1=O)CCN(C2)Cc1c(C)nc2n1cccc2
• InChI: InChI=1S/C21H30N4O2/c1-17-18(25-12-4-3-7-19(25)22-17)15-23-13-9-21(16-23)8-5-10-24(20(21)26)11-6-14-27-2/h3-4,7,12H,5-6,8-11,13-16H2,1-2H3
• InChIKey: OWNWXFISIBRKCR-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 7-(3-methoxypropyl)-2-({2-methylimidazo[1,2-a]pyridin-3-yl}methyl)-2,7-diazaspiro[4.5]decan-6-one
• IUPAC传统名: 7-(3-methoxypropyl)-2-({2-methylimidazo[1,2-a]pyridin-3-yl}methyl)-2,7-diazaspiro[4.5]decan-6-one
• 别名: 7-(3-methoxypropyl)-2-[(2-methylimidazo[1,2-a]pyridin-3-yl)methyl]-2,7-diazaspiro[4.5]decan-6-one

理论计算性质

JChem

• 质子受体: 4
• 质子供体: 0
• LogD (pH = 5.5): -2.7898166
• LogD (pH = 7.4): -1.1574117
• Log P: 0.71721077
• 摩尔折射率: 107.4699 cm^3
• 极化性: 40.958466 Å^3
• 极化表面积: 50.08 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: 4
• 质子供体: 0
• Log P: 1.69
• LOG S: -3.34
• 极化表面积: 50.08 Å^2
• 可自由旋转的化学键: 6