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

• ChemBase编号: 611661
• 分子式: C22H25N3O3
• 平均质量: 379.4522
• 单一同位素质量: 379.18959168
• SMILES: c1(nc2n(c1)cc(cc2)C)C(=O)N(CC1OCCC1)CCOc1ccccc1
• Canonical SMILES: Cc1ccc2n(c1)cc(n2)C(=O)N(CC1CCCO1)CCOc1ccccc1
• InChI: InChI=1S/C22H25N3O3/c1-17-9-10-21-23-20(16-25(21)14-17)22(26)24(15-19-8-5-12-27-19)11-13-28-18-6-3-2-4-7-18/h2-4,6-7,9-10,14,16,19H,5,8,11-13,15H2,1H3
• InChIKey: BKRRBLPRAZNTIU-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 6-methyl-N-(oxolan-2-ylmethyl)-N-(2-phenoxyethyl)imidazo[1,2-a]pyridine-2-carboxamide
• IUPAC传统名: 6-methyl-N-(oxolan-2-ylmethyl)-N-(2-phenoxyethyl)imidazo[1,2-a]pyridine-2-carboxamide
• 别名: 6-methyl-N-(2-phenoxyethyl)-N-(tetrahydro-2-furanylmethyl)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): 3.0105524
• LogD (pH = 7.4): 3.0193388
• Log P: 3.019452
• 摩尔折射率: 108.2843 cm^3
• 极化性: 41.018078 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