2-methyl-8-{8-methylimidazo[1,2-a]pyridine-2-carbonyl}-2,8-diazaspiro[4.5]decane

• ChemBase编号: 669650
• 分子式: C18H24N4O
• 平均质量: 312.40936
• 单一同位素质量: 312.19501141
• SMILES: c1(nc2n(c1)cccc2C)C(=O)N1CCC2(CN(CC2)C)CC1
• Canonical SMILES: CN1CCC2(C1)CCN(CC2)C(=O)c1cn2c(n1)c(C)ccc2
• InChI: InChI=1S/C18H24N4O/c1-14-4-3-8-22-12-15(19-16(14)22)17(23)21-10-6-18(7-11-21)5-9-20(2)13-18/h3-4,8,12H,5-7,9-11,13H2,1-2H3
• InChIKey: PIVRKONTVMZDCQ-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 2-methyl-8-{8-methylimidazo[1,2-a]pyridine-2-carbonyl}-2,8-diazaspiro[4.5]decane
• IUPAC传统名: 2-methyl-8-{8-methylimidazo[1,2-a]pyridine-2-carbonyl}-2,8-diazaspiro[4.5]decane
• 别名: 2-methyl-8-[(8-methylimidazo[1,2-a]pyridin-2-yl)carbonyl]-2,8-diazaspiro[4.5]decane

理论计算性质

JChem

• 质子受体: 3
• 质子供体: 0
• LogD (pH = 5.5): -2.0329883
• LogD (pH = 7.4): -0.7066755
• Log P: 1.3486884
• 摩尔折射率: 92.413 cm^3
• 极化性: 34.533085 Å^3
• 极化表面积: 40.85 Å^2
• 可自由旋转的化学键: 1
• 里宾斯基五规则: true

Provided by Chembridge

• 质子受体: 3
• 质子供体: 0
• Log P: 1.17
• LOG S: -2.47
• 极化表面积: 40.85 Å^2
• 可自由旋转的化学键: 1