6-chloro-N,N-dimethyl-3-{[methyl(1-methylpyrrolidin-3-yl)amino]methyl}imidazo[1,2-a]pyridine-2-carboxamide

• ChemBase编号: 486705
• 分子式: C17H24ClN5O
• 平均质量: 349.85836
• 单一同位素质量: 349.16693809
• SMILES: c1(c(n2c(n1)ccc(c2)Cl)CN(C1CN(CC1)C)C)C(=O)N(C)C
• Canonical SMILES: CN1CCC(C1)N(Cc1c(nc2n1cc(Cl)cc2)C(=O)N(C)C)C
• InChI: InChI=1S/C17H24ClN5O/c1-20(2)17(24)16-14(11-22(4)13-7-8-21(3)10-13)23-9-12(18)5-6-15(23)19-16/h5-6,9,13H,7-8,10-11H2,1-4H3
• InChIKey: MTDVIIRKKCVOHX-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 6-chloro-N,N-dimethyl-3-{[methyl(1-methylpyrrolidin-3-yl)amino]methyl}imidazo[1,2-a]pyridine-2-carboxamide
• IUPAC传统名: 6-chloro-N,N-dimethyl-3-{[methyl(1-methylpyrrolidin-3-yl)amino]methyl}imidazo[1,2-a]pyridine-2-carboxamide
• 别名: 6-chloro-N,N-dimethyl-3-{[methyl(1-methylpyrrolidin-3-yl)amino]methyl}imidazo[1,2-a]pyridine-2-carboxamide

理论计算性质

JChem

• 质子受体: 4
• 质子供体: 0
• LogD (pH = 5.5): -2.3663769
• LogD (pH = 7.4): -0.745632
• Log P: 0.8756811
• 摩尔折射率: 98.2469 cm^3
• 极化性: 36.909203 Å^3
• 极化表面积: 44.09 Å^2
• 可自由旋转的化学键: 4
• 里宾斯基五规则: true

Provided by Chembridge

• 质子受体: 4
• 质子供体: 0
• Log P: 0.35
• LOG S: -3.36
• 极化表面积: 44.09 Å^2
• 可自由旋转的化学键: 4