N-[(5-cyclobutyl-1,2,4-oxadiazol-3-yl)methyl]-3-fluoro-N,5-dimethylimidazo[1,2-a]pyridine-2-carboxamide

• ChemBase编号: 397847
• 分子式: C17H18FN5O2
• 平均质量: 343.3555232
• 单一同位素质量: 343.14445306
• SMILES: c1(c(n2c(n1)cccc2C)F)C(=O)N(Cc1nc(on1)C1CCC1)C
• Canonical SMILES: CN(C(=O)c1nc2n(c1F)c(C)ccc2)Cc1noc(n1)C1CCC1
• InChI: InChI=1S/C17H18FN5O2/c1-10-5-3-8-13-20-14(15(18)23(10)13)17(24)22(2)9-12-19-16(25-21-12)11-6-4-7-11/h3,5,8,11H,4,6-7,9H2,1-2H3
• InChIKey: KALHWZGLAJEZMP-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: N-[(5-cyclobutyl-1,2,4-oxadiazol-3-yl)methyl]-3-fluoro-N,5-dimethylimidazo[1,2-a]pyridine-2-carboxamide
• IUPAC传统名: N-[(5-cyclobutyl-1,2,4-oxadiazol-3-yl)methyl]-3-fluoro-N,5-dimethylimidazo[1,2-a]pyridine-2-carboxamide
• 别名: N-[(5-cyclobutyl-1,2,4-oxadiazol-3-yl)methyl]-3-fluoro-N,5-dimethylimidazo[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): 1.9920468
• LogD (pH = 7.4): 1.9921268
• Log P: 1.9921279
• 摩尔折射率: 90.9371 cm^3
• 极化性: 32.6313 Å^3
• 极化表面积: 76.53 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: 5
• 质子供体: 0
• Log P: 0.94
• LOG S: -2.51
• 极化表面积: 76.53 Å^2
• 可自由旋转的化学键: 4