N-(propan-2-yl)-N-[(trimethyl-1H-pyrazol-4-yl)methyl]pyrazolo[1,5-a]pyridine-2-carboxamide

• ChemBase编号: 458912
• 分子式: C18H23N5O
• 平均质量: 325.40812
• 单一同位素质量: 325.19026038
• SMILES: c1(nn2c(c1)cccc2)C(=O)N(Cc1c(n(nc1C)C)C)C(C)C
• Canonical SMILES: CC(N(C(=O)c1cc2n(n1)cccc2)Cc1c(C)nn(c1C)C)C
• InChI: InChI=1S/C18H23N5O/c1-12(2)22(11-16-13(3)19-21(5)14(16)4)18(24)17-10-15-8-6-7-9-23(15)20-17/h6-10,12H,11H2,1-5H3
• InChIKey: FPEIEYYNCPRTEB-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: N-(propan-2-yl)-N-[(trimethyl-1H-pyrazol-4-yl)methyl]pyrazolo[1,5-a]pyridine-2-carboxamide
• IUPAC传统名: N-isopropyl-N-[(trimethylpyrazol-4-yl)methyl]pyrazolo[1,5-a]pyridine-2-carboxamide
• 别名: N-isopropyl-N-[(1,3,5-trimethyl-1H-pyrazol-4-yl)methyl]pyrazolo[1,5-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): 2.4416015
• LogD (pH = 7.4): 2.4436471
• Log P: 2.4436734
• 摩尔折射率: 116.9023 cm^3
• 极化性: 35.83945 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: 2.04
• LOG S: -3.32
• 极化表面积: 55.43 Å^2
• 可自由旋转的化学键: 4