N-{[3,5-dimethyl-1-(propan-2-yl)-1H-pyrazol-4-yl]methyl}-3-fluoro-N,6-dimethylimidazo[1,2-a]pyridine-2-carboxamide

• ChemBase编号: 360758
• 分子式: C19H24FN5O
• 平均质量: 357.4251632
• 单一同位素质量: 357.19648863
• SMILES: c1(c(n2c(n1)ccc(c2)C)F)C(=O)N(Cc1c(n(nc1C)C(C)C)C)C
• Canonical SMILES: Cc1ccc2n(c1)c(F)c(n2)C(=O)N(Cc1c(C)nn(c1C)C(C)C)C
• InChI: InChI=1S/C19H24FN5O/c1-11(2)25-14(5)15(13(4)22-25)10-23(6)19(26)17-18(20)24-9-12(3)7-8-16(24)21-17/h7-9,11H,10H2,1-6H3
• InChIKey: ZCAULDVJDXXYGP-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: N-{[3,5-dimethyl-1-(propan-2-yl)-1H-pyrazol-4-yl]methyl}-3-fluoro-N,6-dimethylimidazo[1,2-a]pyridine-2-carboxamide
• IUPAC传统名: 3-fluoro-N-[(1-isopropyl-3,5-dimethylpyrazol-4-yl)methyl]-N,6-dimethylimidazo[1,2-a]pyridine-2-carboxamide
• 别名: 3-fluoro-N-[(1-isopropyl-3,5-dimethyl-1H-pyrazol-4-yl)methyl]-N,6-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): 2.2429671
• LogD (pH = 7.4): 2.2449026
• Log P: 2.2449274
• 摩尔折射率: 112.0729 cm^3
• 极化性: 36.63387 Å^3
• 极化表面积: 55.43 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: 1.84
• LOG S: -3.38
• 极化表面积: 55.43 Å^2
• 可自由旋转的化学键: 4