N-{imidazo[1,2-a]pyridin-3-ylmethyl}-N,1-dimethyl-6-oxo-1,6-dihydropyridazine-3-carboxamide

• ChemBase编号: 616161
• 分子式: C15H15N5O2
• 平均质量: 297.3119
• 单一同位素质量: 297.12257475
• SMILES: c1(nn(c(=O)cc1)C)C(=O)N(Cc1n2c(nc1)cccc2)C
• Canonical SMILES: CN(C(=O)c1ccc(=O)n(n1)C)Cc1cnc2n1cccc2
• InChI: InChI=1S/C15H15N5O2/c1-18(15(22)12-6-7-14(21)19(2)17-12)10-11-9-16-13-5-3-4-8-20(11)13/h3-9H,10H2,1-2H3
• InChIKey: GDLVGBJRZTZGQH-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: N-{imidazo[1,2-a]pyridin-3-ylmethyl}-N,1-dimethyl-6-oxo-1,6-dihydropyridazine-3-carboxamide
• IUPAC传统名: N-{imidazo[1,2-a]pyridin-3-ylmethyl}-N,1-dimethyl-6-oxopyridazine-3-carboxamide
• 别名: N-(imidazo[1,2-a]pyridin-3-ylmethyl)-N,1-dimethyl-6-oxo-1,6-dihydro-3-pyridazinecarboxamide

理论计算性质

Provided by Chembridge

• Log P: -0.8
• LOG S: -2.85
• 极化表面积: 72.5 Å^2
• 可自由旋转的化学键: 3
• 质子受体: 5
• 质子供体: 0

JChem

• 摩尔折射率: 83.1131 cm^3
• 极化性: 30.220333 Å^3
• 极化表面积: 70.28 Å^2
• 可自由旋转的化学键: 3
• 里宾斯基五规则: true
• 质子受体: 4
• 质子供体: 0
• LogD (pH = 5.5): -0.6811635
• LogD (pH = 7.4): -0.06803326
• Log P: -0.04244004