N-cyclopropyl-7-methyl-N-[(trimethyl-1H-pyrazol-4-yl)methyl]imidazo[1,2-a]pyridine-2-carboxamide

• ChemBase编号: 724134
• 分子式: C19H23N5O
• 平均质量: 337.41882
• 单一同位素质量: 337.19026038
• SMILES: c1(nc2n(c1)ccc(c2)C)C(=O)N(Cc1c(n(nc1C)C)C)C1CC1
• Canonical SMILES: Cc1ccn2c(c1)nc(c2)C(=O)N(C1CC1)Cc1c(C)nn(c1C)C
• InChI: InChI=1S/C19H23N5O/c1-12-7-8-23-11-17(20-18(23)9-12)19(25)24(15-5-6-15)10-16-13(2)21-22(4)14(16)3/h7-9,11,15H,5-6,10H2,1-4H3
• InChIKey: KRLFFZDOGXSCEE-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: N-cyclopropyl-7-methyl-N-[(trimethyl-1H-pyrazol-4-yl)methyl]imidazo[1,2-a]pyridine-2-carboxamide
• IUPAC传统名: N-cyclopropyl-7-methyl-N-[(trimethylpyrazol-4-yl)methyl]imidazo[1,2-a]pyridine-2-carboxamide
• 别名: N-cyclopropyl-7-methyl-N-[(1,3,5-trimethyl-1H-pyrazol-4-yl)methyl]imidazo[1,2-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): 1.8987885
• LogD (pH = 7.4): 1.9055561
• Log P: 1.9056427
• 摩尔折射率: 109.9458 cm^3
• 极化性: 36.21786 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: 1.45
• LOG S: -2.9
• 极化表面积: 55.43 Å^2
• 可自由旋转的化学键: 4