N-cyclopropyl-N-(3-phenylprop-2-yn-1-yl)pyrazolo[1,5-a]pyridine-7-carboxamide

• ChemBase编号: 663640
• 分子式: C20H17N3O
• 平均质量: 315.36848
• 单一同位素质量: 315.13716218
• SMILES: c1(n2c(ccn2)ccc1)C(=O)N(C1CC1)CC#Cc1ccccc1
• Canonical SMILES: O=C(c1cccc2n1ncc2)N(C1CC1)CC#Cc1ccccc1
• InChI: InChI=1S/C20H17N3O/c24-20(19-10-4-9-18-13-14-21-23(18)19)22(17-11-12-17)15-5-8-16-6-2-1-3-7-16/h1-4,6-7,9-10,13-14,17H,11-12,15H2
• InChIKey: YWFFUYPNYQNLMW-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: N-cyclopropyl-N-(3-phenylprop-2-yn-1-yl)pyrazolo[1,5-a]pyridine-7-carboxamide
• IUPAC传统名: N-cyclopropyl-N-(3-phenylprop-2-yn-1-yl)pyrazolo[1,5-a]pyridine-7-carboxamide
• 别名: N-cyclopropyl-N-(3-phenylprop-2-yn-1-yl)pyrazolo[1,5-a]pyridine-7-carboxamide

理论计算性质

JChem

• 极化性: 35.606834 Å^3
• 极化表面积: 37.61 Å^2
• 可自由旋转的化学键: 5
• 里宾斯基五规则: true
• 质子受体: 2
• 质子供体: 0
• LogD (pH = 5.5): 3.3850038
• LogD (pH = 7.4): 3.3850574
• Log P: 3.3850582
• 摩尔折射率: 102.1829 cm^3

Provided by Chembridge

• 极化表面积: 37.61 Å^2
• 可自由旋转的化学键: 5
• 质子受体: 2
• 质子供体: 0
• Log P: 3.3
• LOG S: -4.32