5-amino-6-chloro-2-methyl-N-{[1-(2-methylpropyl)piperidin-4-yl]methyl}imidazo[1,2-a]pyridine-8-carboxamide

• ChemBase编号: 126623
• 分子式: C19H28ClN5O
• 平均质量: 377.91152
• 单一同位素质量: 377.19823822
• SMILES: C1CN(CC(C)C)CCC1CNC(=O)c1cc(Cl)c(N)n2cc(C)nc12
• Canonical SMILES: CC(CN1CCC(CC1)CNC(=O)c1cc(Cl)c(n2c1nc(c2)C)N)C
• InChI: InChI=1S/C19H28ClN5O/c1-12(2)10-24-6-4-14(5-7-24)9-22-19(26)15-8-16(20)17(21)25-11-13(3)23-18(15)25/h8,11-12,14H,4-7,9-10,21H2,1-3H3,(H,22,26)
• InChIKey: ISKHMDNIWXPUGR-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 5-amino-6-chloro-2-methyl-N-{[1-(2-methylpropyl)piperidin-4-yl]methyl}imidazo[1,2-a]pyridine-8-carboxamide
• IUPAC传统名: 5-amino-6-chloro-2-methyl-N-{[1-(2-methylpropyl)piperidin-4-yl]methyl}imidazo[1,2-a]pyridine-8-carboxamide
• 别名: CJ-033,466

登记号

• PubChem SID: 162220953
• PubChem CID: 10429706
• 维基百科标题: CJ-033,466

理论计算性质

• Acid pKa: 14.344002
• 质子受体: 4
• 质子供体: 2
• LogD (pH = 5.5): -2.134884
• LogD (pH = 7.4): -0.9595041
• Log P: 1.5613557
• 摩尔折射率: 107.2748 cm^3
• 极化性: 40.135 Å^3
• 极化表面积: 75.66 Å^2
• 可自由旋转的化学键: 5
• 里宾斯基五规则: true