8-methyl-N-(oxolan-2-ylmethyl)-N-(2-phenoxyethyl)imidazo[1,2-a]pyridine-2-carboxamide

• ChemBase编号: 511798
• 分子式: C22H25N3O3
• 平均质量: 379.4522
• 单一同位素质量: 379.18959168
• SMILES: c1(nc2n(c1)cccc2C)C(=O)N(CC1OCCC1)CCOc1ccccc1
• Canonical SMILES: O=C(c1cn2c(n1)c(C)ccc2)N(CC1CCCO1)CCOc1ccccc1
• InChI: InChI=1S/C22H25N3O3/c1-17-7-5-11-24-16-20(23-21(17)24)22(26)25(15-19-10-6-13-27-19)12-14-28-18-8-3-2-4-9-18/h2-5,7-9,11,16,19H,6,10,12-15H2,1H3
• InChIKey: IFUUZDSGPMHIBZ-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 8-methyl-N-(oxolan-2-ylmethyl)-N-(2-phenoxyethyl)imidazo[1,2-a]pyridine-2-carboxamide
• IUPAC传统名: 8-methyl-N-(oxolan-2-ylmethyl)-N-(2-phenoxyethyl)imidazo[1,2-a]pyridine-2-carboxamide
• 别名: 8-methyl-N-(2-phenoxyethyl)-N-(tetrahydrofuran-2-ylmethyl)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): 3.0114448
• LogD (pH = 7.4): 3.0193505
• Log P: 3.019452
• 摩尔折射率: 108.2843 cm^3
• 极化性: 41.019325 Å^3
• 极化表面积: 56.07 Å^2
• 可自由旋转的化学键: 7
• 里宾斯基五规则: true

Provided by Chembridge

• 质子受体: 4
• 质子供体: 0
• Log P: 2.36
• LOG S: -3.98
• 极化表面积: 56.07 Å^2
• 可自由旋转的化学键: 7