N-(pyridin-3-ylmethyl)-N-(thiophen-3-ylmethyl)pyrazolo[1,5-a]pyridine-7-carboxamide

• ChemBase编号: 512383
• 分子式: C19H16N4OS
• 平均质量: 348.42154
• 单一同位素质量: 348.10448215
• SMILES: c1(n2c(ccn2)ccc1)C(=O)N(Cc1cscc1)Cc1cnccc1
• Canonical SMILES: O=C(c1cccc2n1ncc2)N(Cc1cscc1)Cc1cccnc1
• InChI: InChI=1S/C19H16N4OS/c24-19(18-5-1-4-17-6-9-21-23(17)18)22(13-16-7-10-25-14-16)12-15-3-2-8-20-11-15/h1-11,14H,12-13H2
• InChIKey: FMIAQKNSEWFAJB-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: N-(pyridin-3-ylmethyl)-N-(thiophen-3-ylmethyl)pyrazolo[1,5-a]pyridine-7-carboxamide
• IUPAC传统名: N-(pyridin-3-ylmethyl)-N-(thiophen-3-ylmethyl)pyrazolo[1,5-a]pyridine-7-carboxamide
• 别名: N-(pyridin-3-ylmethyl)-N-(3-thienylmethyl)pyrazolo[1,5-a]pyridine-7-carboxamide

理论计算性质

JChem

• 质子受体: 3
• 质子供体: 0
• LogD (pH = 5.5): 2.6605873
• LogD (pH = 7.4): 2.7318823
• Log P: 2.7328923
• 摩尔折射率: 108.9013 cm^3
• 极化性: 37.402473 Å^3
• 极化表面积: 50.5 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: 1.58
• LOG S: -1.79
• 极化表面积: 50.5 Å^2
• 可自由旋转的化学键: 5