methyl({[8-methyl-2-(morpholine-4-carbonyl)imidazo[1,2-a]pyridin-3-yl]methyl})(oxolan-2-ylmethyl)amine

• ChemBase编号: 624650
• 分子式: C20H28N4O3
• 平均质量: 372.46132
• 单一同位素质量: 372.21614078
• SMILES: c1(c(n2c(n1)c(ccc2)C)CN(CC1OCCC1)C)C(=O)N1CCOCC1
• Canonical SMILES: CN(Cc1c(nc2n1cccc2C)C(=O)N1CCOCC1)CC1CCCO1
• InChI: InChI=1S/C20H28N4O3/c1-15-5-3-7-24-17(14-22(2)13-16-6-4-10-27-16)18(21-19(15)24)20(25)23-8-11-26-12-9-23/h3,5,7,16H,4,6,8-14H2,1-2H3
• InChIKey: JPTATYJEGXMKDV-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: methyl({[8-methyl-2-(morpholine-4-carbonyl)imidazo[1,2-a]pyridin-3-yl]methyl})(oxolan-2-ylmethyl)amine
• IUPAC传统名: methyl({[8-methyl-2-(morpholine-4-carbonyl)imidazo[1,2-a]pyridin-3-yl]methyl})(oxolan-2-ylmethyl)amine
• 别名: N-methyl-1-[8-methyl-2-(morpholin-4-ylcarbonyl)imidazo[1,2-a]pyridin-3-yl]-N-(tetrahydrofuran-2-ylmethyl)methanamine

理论计算性质

JChem

• 质子受体: 5
• 质子供体: 0
• LogD (pH = 5.5): -1.0158424
• LogD (pH = 7.4): 0.6391211
• Log P: 1.0183
• 摩尔折射率: 105.2268 cm^3
• 极化性: 39.61575 Å^3
• 极化表面积: 59.31 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: -0.28
• LOG S: -2.99
• 极化表面积: 59.31 Å^2
• 可自由旋转的化学键: 5