N,8-dimethyl-3-(morpholin-4-ylmethyl)-N-(2-phenylethyl)imidazo[1,2-a]pyridine-2-carboxamide

• ChemBase编号: 543576
• 分子式: C23H28N4O2
• 平均质量: 392.49402
• 单一同位素质量: 392.22122616
• SMILES: c1(c(n2c(n1)c(ccc2)C)CN1CCOCC1)C(=O)N(CCc1ccccc1)C
• Canonical SMILES: CN(C(=O)c1nc2n(c1CN1CCOCC1)cccc2C)CCc1ccccc1
• InChI: InChI=1S/C23H28N4O2/c1-18-7-6-11-27-20(17-26-13-15-29-16-14-26)21(24-22(18)27)23(28)25(2)12-10-19-8-4-3-5-9-19/h3-9,11H,10,12-17H2,1-2H3
• InChIKey: IIMPQMDQMJDQKR-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: N,8-dimethyl-3-(morpholin-4-ylmethyl)-N-(2-phenylethyl)imidazo[1,2-a]pyridine-2-carboxamide
• IUPAC传统名: N,8-dimethyl-3-(morpholin-4-ylmethyl)-N-(2-phenylethyl)imidazo[1,2-a]pyridine-2-carboxamide
• 别名: N,8-dimethyl-3-(4-morpholinylmethyl)-N-(2-phenylethyl)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): 2.222239
• LogD (pH = 7.4): 2.6049507
• Log P: 2.6128454
• 摩尔折射率: 116.3397 cm^3
• 极化性: 43.70387 Å^3
• 极化表面积: 50.08 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: 5
• 质子供体: 0
• Log P: 2.36
• LOG S: -2.7
• 极化表面积: 50.08 Å^2
• 可自由旋转的化学键: 6