N-cyclopropyl-N-[(1-methyl-1H-imidazol-2-yl)methyl]pyrazolo[1,5-a]pyridine-7-carboxamide

• ChemBase编号: 845351
• 分子式: C16H17N5O
• 平均质量: 295.33908
• 单一同位素质量: 295.14331019
• SMILES: c1(n2c(ccn2)ccc1)C(=O)N(Cc1n(ccn1)C)C1CC1
• Canonical SMILES: Cn1ccnc1CN(C(=O)c1cccc2n1ncc2)C1CC1
• InChI: InChI=1S/C16H17N5O/c1-19-10-9-17-15(19)11-20(12-5-6-12)16(22)14-4-2-3-13-7-8-18-21(13)14/h2-4,7-10,12H,5-6,11H2,1H3
• InChIKey: RLDPXCQWSFLDGF-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: N-cyclopropyl-N-[(1-methyl-1H-imidazol-2-yl)methyl]pyrazolo[1,5-a]pyridine-7-carboxamide
• IUPAC传统名: N-cyclopropyl-N-[(1-methylimidazol-2-yl)methyl]pyrazolo[1,5-a]pyridine-7-carboxamide
• 别名: N-cyclopropyl-N-[(1-methyl-1H-imidazol-2-yl)methyl]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): 0.541107
• LogD (pH = 7.4): 1.0719366
• Log P: 1.0895867
• 摩尔折射率: 93.7295 cm^3
• 极化性: 31.594551 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: 0.05
• LOG S: -2.71
• 极化表面积: 55.43 Å^2
• 可自由旋转的化学键: 4