methyl({[2-(morpholine-4-carbonyl)imidazo[1,2-a]pyridin-3-yl]methyl})(pyridin-3-ylmethyl)amine

• ChemBase编号: 493538
• 分子式: C20H23N5O2
• 平均质量: 365.42892
• 单一同位素质量: 365.185175
• SMILES: c1(c(n2c(n1)cccc2)CN(Cc1cnccc1)C)C(=O)N1CCOCC1
• Canonical SMILES: CN(Cc1c(nc2n1cccc2)C(=O)N1CCOCC1)Cc1cccnc1
• InChI: InChI=1S/C20H23N5O2/c1-23(14-16-5-4-7-21-13-16)15-17-19(20(26)24-9-11-27-12-10-24)22-18-6-2-3-8-25(17)18/h2-8,13H,9-12,14-15H2,1H3
• InChIKey: KYOXFIHEJCRMKO-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: methyl({[2-(morpholine-4-carbonyl)imidazo[1,2-a]pyridin-3-yl]methyl})(pyridin-3-ylmethyl)amine
• IUPAC传统名: methyl({[2-(morpholine-4-carbonyl)imidazo[1,2-a]pyridin-3-yl]methyl})(pyridin-3-ylmethyl)amine
• 别名: N-methyl-1-[2-(morpholin-4-ylcarbonyl)imidazo[1,2-a]pyridin-3-yl]-N-(pyridin-3-ylmethyl)methanamine

理论计算性质

JChem

• 质子受体: 5
• 质子供体: 0
• LogD (pH = 5.5): -0.9322634
• LogD (pH = 7.4): 0.44292855
• Log P: 0.5930903
• 摩尔折射率: 104.3866 cm^3
• 极化性: 39.201035 Å^3
• 极化表面积: 62.97 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: 5
• 质子供体: 0
• Log P: -0.43
• LOG S: -1.51
• 极化表面积: 62.97 Å^2
• 可自由旋转的化学键: 5