6-chloro-N-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-3-fluoro-N-(propan-2-yl)imidazo[1,2-a]pyridine-2-carboxamide

• ChemBase编号: 751088
• 分子式: C16H17ClFN5O2
• 平均质量: 365.7898832
• 单一同位素质量: 365.10548071
• SMILES: c1(c(n2c(n1)ccc(c2)Cl)F)C(=O)N(Cc1nnc(o1)CC)C(C)C
• Canonical SMILES: CCc1nnc(o1)CN(C(=O)c1nc2n(c1F)cc(cc2)Cl)C(C)C
• InChI: InChI=1S/C16H17ClFN5O2/c1-4-12-20-21-13(25-12)8-22(9(2)3)16(24)14-15(18)23-7-10(17)5-6-11(23)19-14/h5-7,9H,4,8H2,1-3H3
• InChIKey: PJUMSPKAJZUDII-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 6-chloro-N-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-3-fluoro-N-(propan-2-yl)imidazo[1,2-a]pyridine-2-carboxamide
• IUPAC传统名: 6-chloro-N-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-3-fluoro-N-isopropylimidazo[1,2-a]pyridine-2-carboxamide
• 别名: 6-chloro-N-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-3-fluoro-N-isopropylimidazo[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): 1.4548979
• LogD (pH = 7.4): 1.4549649
• Log P: 1.4549658
• 摩尔折射率: 92.5121 cm^3
• 极化性: 33.544968 Å^3
• 极化表面积: 76.53 Å^2
• 可自由旋转的化学键: 5
• 里宾斯基五规则: true

Provided by Chembridge

• 质子受体: 5
• 质子供体: 0
• Log P: 1.61
• LOG S: -3.24
• 极化表面积: 76.53 Å^2
• 可自由旋转的化学键: 5