N-cyclopentyl-N-(thiophen-3-ylmethyl)imidazo[1,2-a]pyridine-6-carboxamide

• ChemBase编号: 377954
• 分子式: C18H19N3OS
• 平均质量: 325.42796
• 单一同位素质量: 325.12488324
• SMILES: c1(C(=O)N(Cc2cscc2)C2CCCC2)cn2c(ncc2)cc1
• Canonical SMILES: O=C(N(C1CCCC1)Cc1cscc1)c1ccc2n(c1)ccn2
• InChI: InChI=1S/C18H19N3OS/c22-18(15-5-6-17-19-8-9-20(17)12-15)21(16-3-1-2-4-16)11-14-7-10-23-13-14/h5-10,12-13,16H,1-4,11H2
• InChIKey: AZCJBFNHVYZQML-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: N-cyclopentyl-N-(thiophen-3-ylmethyl)imidazo[1,2-a]pyridine-6-carboxamide
• IUPAC传统名: N-cyclopentyl-N-(thiophen-3-ylmethyl)imidazo[1,2-a]pyridine-6-carboxamide
• 别名: N-cyclopentyl-N-(3-thienylmethyl)imidazo[1,2-a]pyridine-6-carboxamide

理论计算性质

JChem

• 质子受体: 2
• 质子供体: 0
• LogD (pH = 5.5): 2.2911217
• LogD (pH = 7.4): 2.892882
• Log P: 2.9171588
• 摩尔折射率: 92.9398 cm^3
• 极化性: 34.684742 Å^3
• 极化表面积: 37.61 Å^2
• 可自由旋转的化学键: 4
• 里宾斯基五规则: true

Provided by Chembridge

• 质子受体: 2
• 质子供体: 0
• Log P: 2.57
• LOG S: -3.77
• 极化表面积: 37.61 Å^2
• 可自由旋转的化学键: 4