2,6-dimethyl-N-[2-(4-phenylpiperidin-1-yl)ethyl]imidazo[1,2-a]pyridine-3-carboxamide

• ChemBase编号: 647725
• 分子式: C23H28N4O
• 平均质量: 376.49462
• 单一同位素质量: 376.22631154
• SMILES: n12c(c(nc1ccc(c2)C)C)C(=O)NCCN1CCC(CC1)c1ccccc1
• Canonical SMILES: Cc1ccc2n(c1)c(C(=O)NCCN1CCC(CC1)c1ccccc1)c(n2)C
• InChI: InChI=1S/C23H28N4O/c1-17-8-9-21-25-18(2)22(27(21)16-17)23(28)24-12-15-26-13-10-20(11-14-26)19-6-4-3-5-7-19/h3-9,16,20H,10-15H2,1-2H3,(H,24,28)
• InChIKey: OBJKACWJNXENAM-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 2,6-dimethyl-N-[2-(4-phenylpiperidin-1-yl)ethyl]imidazo[1,2-a]pyridine-3-carboxamide
• IUPAC传统名: 2,6-dimethyl-N-[2-(4-phenylpiperidin-1-yl)ethyl]imidazo[1,2-a]pyridine-3-carboxamide
• 别名: 2,6-dimethyl-N-[2-(4-phenylpiperidin-1-yl)ethyl]imidazo[1,2-a]pyridine-3-carboxamide

理论计算性质

JChem

• Acid pKa: 15.999203
• 质子受体: 3
• 质子供体: 1
• LogD (pH = 5.5): 0.018963963
• LogD (pH = 7.4): 1.8705261
• Log P: 2.6884923
• 摩尔折射率: 114.2264 cm^3
• 极化性: 42.86664 Å^3
• 极化表面积: 49.64 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: 3
• 质子供体: 1
• Log P: 3.29
• LOG S: -4.75
• 极化表面积: 49.64 Å^2
• 可自由旋转的化学键: 5