2-{6-chloro-2-methylimidazo[1,2-a]pyridine-3-carbonyl}-7-methyl-2,7-diazaspiro[4.5]decan-6-one

• ChemBase编号: 682453
• 分子式: C18H21ClN4O2
• 平均质量: 360.83794
• 单一同位素质量: 360.13530361
• SMILES: c1(n2c(nc1C)ccc(c2)Cl)C(=O)N1CC2(C(=O)N(CCC2)C)CC1
• Canonical SMILES: Clc1ccc2n(c1)c(c(n2)C)C(=O)N1CCC2(C1)CCCN(C2=O)C
• InChI: InChI=1S/C18H21ClN4O2/c1-12-15(23-10-13(19)4-5-14(23)20-12)16(24)22-9-7-18(11-22)6-3-8-21(2)17(18)25/h4-5,10H,3,6-9,11H2,1-2H3
• InChIKey: ZRYLBARELGGFQU-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 2-{6-chloro-2-methylimidazo[1,2-a]pyridine-3-carbonyl}-7-methyl-2,7-diazaspiro[4.5]decan-6-one
• IUPAC传统名: 2-{6-chloro-2-methylimidazo[1,2-a]pyridine-3-carbonyl}-7-methyl-2,7-diazaspiro[4.5]decan-6-one
• 别名: 2-[(6-chloro-2-methylimidazo[1,2-a]pyridin-3-yl)carbonyl]-7-methyl-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): 0.6030739
• LogD (pH = 7.4): 0.6640279
• Log P: 0.66486686
• 摩尔折射率: 96.6949 cm^3
• 极化性: 36.151806 Å^3
• 极化表面积: 57.92 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: 1.43
• LOG S: -3.05
• 极化表面积: 57.92 Å^2
• 可自由旋转的化学键: 1