({6-chloro-2-methylimidazo[1,2-a]pyridin-3-yl}methyl)(2-methylpropyl)(pyridin-2-ylmethyl)amine

• ChemBase编号: 526531
• 分子式: C19H23ClN4
• 平均质量: 342.86572
• 单一同位素质量: 342.16112444
• SMILES: n12c(c(nc1ccc(c2)Cl)C)CN(Cc1ncccc1)CC(C)C
• Canonical SMILES: CC(CN(Cc1c(C)nc2n1cc(Cl)cc2)Cc1ccccn1)C
• InChI: InChI=1S/C19H23ClN4/c1-14(2)10-23(12-17-6-4-5-9-21-17)13-18-15(3)22-19-8-7-16(20)11-24(18)19/h4-9,11,14H,10,12-13H2,1-3H3
• InChIKey: SGOHXLCXKAQPII-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: ({6-chloro-2-methylimidazo[1,2-a]pyridin-3-yl}methyl)(2-methylpropyl)(pyridin-2-ylmethyl)amine
• IUPAC传统名: ({6-chloro-2-methylimidazo[1,2-a]pyridin-3-yl}methyl)(2-methylpropyl)(pyridin-2-ylmethyl)amine
• 别名: N-[(6-chloro-2-methylimidazo[1,2-a]pyridin-3-yl)methyl]-2-methyl-N-(pyridin-2-ylmethyl)propan-1-amine

理论计算性质

JChem

• 质子受体: 3
• 质子供体: 0
• LogD (pH = 5.5): 1.0227578
• LogD (pH = 7.4): 2.8191528
• Log P: 3.188938
• 摩尔折射率: 99.4306 cm^3
• 极化性: 38.18997 Å^3
• 极化表面积: 33.43 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: 3
• 质子供体: 0
• Log P: 3.71
• LOG S: -2.56
• 极化表面积: 33.43 Å^2
• 可自由旋转的化学键: 6