N-[(5-ethylpyridin-2-yl)methyl]-3-fluoro-N,8-dimethylimidazo[1,2-a]pyridine-2-carboxamide

• ChemBase编号: 650460
• 分子式: C18H19FN4O
• 平均质量: 326.3680632
• 单一同位素质量: 326.15428947
• SMILES: c1(c(n2c(n1)c(ccc2)C)F)C(=O)N(Cc1ncc(cc1)CC)C
• Canonical SMILES: CCc1ccc(nc1)CN(C(=O)c1nc2n(c1F)cccc2C)C
• InChI: InChI=1S/C18H19FN4O/c1-4-13-7-8-14(20-10-13)11-22(3)18(24)15-16(19)23-9-5-6-12(2)17(23)21-15/h5-10H,4,11H2,1-3H3
• InChIKey: PGFBBJKTDSTMFN-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: N-[(5-ethylpyridin-2-yl)methyl]-3-fluoro-N,8-dimethylimidazo[1,2-a]pyridine-2-carboxamide
• IUPAC传统名: N-[(5-ethylpyridin-2-yl)methyl]-3-fluoro-N,8-dimethylimidazo[1,2-a]pyridine-2-carboxamide
• 别名: N-[(5-ethylpyridin-2-yl)methyl]-3-fluoro-N,8-dimethylimidazo[1,2-a]pyridine-2-carboxamide

理论计算性质

JChem

• 质子受体: 3
• 质子供体: 0
• LogD (pH = 5.5): 2.4855797
• LogD (pH = 7.4): 2.5338876
• Log P: 2.5345423
• 摩尔折射率: 91.224 cm^3
• 极化性: 33.549847 Å^3
• 极化表面积: 50.5 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: 3
• 质子供体: 0
• Log P: 1.59
• LOG S: -1.64
• 极化表面积: 50.5 Å^2
• 可自由旋转的化学键: 4