2-({6-chloro-2-methylimidazo[1,2-a]pyridin-3-yl}methyl)-7-(2-methoxyethyl)-2,7-diazaspiro[4.5]decane

• ChemBase编号: 622350
• 分子式: C20H29ClN4O
• 平均质量: 376.92346
• 单一同位素质量: 376.20298925
• SMILES: n12c(c(nc1ccc(c2)Cl)C)CN1CC2(CN(CCC2)CCOC)CC1
• Canonical SMILES: COCCN1CCCC2(C1)CCN(C2)Cc1c(C)nc2n1cc(Cl)cc2
• InChI: InChI=1S/C20H29ClN4O/c1-16-18(25-12-17(21)4-5-19(25)22-16)13-24-9-7-20(15-24)6-3-8-23(14-20)10-11-26-2/h4-5,12H,3,6-11,13-15H2,1-2H3
• InChIKey: QKBXNNLXYRSJBR-UHFFFAOYSA-N

名称和登记号

名称

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

理论计算性质

JChem

• 质子受体: 4
• 质子供体: 0
• LogD (pH = 5.5): -2.9035988
• LogD (pH = 7.4): -0.34405425
• Log P: 1.8571689
• 摩尔折射率: 107.578 cm^3
• 极化性: 41.307293 Å^3
• 极化表面积: 33.01 Å^2
• 可自由旋转的化学键: 5
• 里宾斯基五规则: true

Provided by Chembridge

• 质子受体: 5
• 质子供体: 0
• Log P: 3.1
• LOG S: -1.21
• 极化表面积: 33.01 Å^2
• 可自由旋转的化学键: 4