2-{8-methylimidazo[1,2-a]pyridin-3-yl}-N-(propan-2-yl)-N-[(trimethyl-1H-pyrazol-4-yl)methyl]acetamide

• ChemBase编号: 769795
• 分子式: C20H27N5O
• 平均质量: 353.46128
• 单一同位素质量: 353.22156051
• SMILES: c1(c(n(nc1C)C)C)CN(C(=O)Cc1n2c(nc1)c(ccc2)C)C(C)C
• Canonical SMILES: CC(N(C(=O)Cc1cnc2n1cccc2C)Cc1c(C)nn(c1C)C)C
• InChI: InChI=1S/C20H27N5O/c1-13(2)25(12-18-15(4)22-23(6)16(18)5)19(26)10-17-11-21-20-14(3)8-7-9-24(17)20/h7-9,11,13H,10,12H2,1-6H3
• InChIKey: DYMWHFBZOMUBIL-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 2-{8-methylimidazo[1,2-a]pyridin-3-yl}-N-(propan-2-yl)-N-[(trimethyl-1H-pyrazol-4-yl)methyl]acetamide
• IUPAC传统名: N-isopropyl-2-{8-methylimidazo[1,2-a]pyridin-3-yl}-N-[(trimethylpyrazol-4-yl)methyl]acetamide
• 别名: N-isopropyl-2-(8-methylimidazo[1,2-a]pyridin-3-yl)-N-[(1,3,5-trimethyl-1H-pyrazol-4-yl)methyl]acetamide

理论计算性质

JChem

• 质子受体: 3
• 质子供体: 0
• LogD (pH = 5.5): 0.9314344
• LogD (pH = 7.4): 1.6764553
• Log P: 1.7277774
• 摩尔折射率: 116.2029 cm^3
• 极化性: 38.988045 Å^3
• 极化表面积: 55.43 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: 3
• 质子供体: 0
• Log P: 1.61
• LOG S: -3.15
• 极化表面积: 55.43 Å^2
• 可自由旋转的化学键: 5