Validation data from https://doi.org/10.1039/C8SC04228D · 10.1039/C8SC04228D
查看![N-[5-({2-[(cyclopropylcarbonyl)amino][1,2,4]triazolo[1,5-a]pyridin-6-yl}oxy)-2-methylphenyl]-2,4-dimethyl-1,3-oxazole-5-carboxamide 分子结构式](/api/mol/57749402/svg/360x280.svg)
HCID57749402
N-[5-({2-[(cyclopropylcarbonyl)amino][1,2,4]triazolo[1,5-a]pyridin-6-yl}oxy)-2-methylphenyl]-2,4-dimethyl-1,3-oxazole-5-carboxamide
N-[5-[[2-(cyclopropanecarbonylamino)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]oxy]-2-methylphenyl]-2,4-dimethyl-1,3-oxazole-5-carboxamide
C23H22N6O4446.5 g/mol
IDENTITY
结构与身份
- 标准SMILES
- Cc1nc(C)c(C(=O)Nc2cc(Oc3ccc4nc(NC(=O)C5CC5)nn4c3)ccc2C)o1
- InChIKey
- OQQAKWMUUKQQOC-UHFFFAOYSA-N
- 分子式
- C23H22N6O4
- 平均分子量
- 446.5 g/mol
- 单同位素质量
- 446.1702532
COMPUTED
结构计算性质
- XLogP
- 3
- 极性表面积
- 124 Ų
- 氢键供体
- 2
- 氢键受体
- 7
- 可旋转键
- 6
- 重原子
- 33
- 形式电荷
- 0
- 复杂度
- 736
ALIASES
名称与别名
SCHEMBL4289463OQQAKWMUUKQQOC-UHFFFAOYSA-NN-[5-({2-[(cyclopropylcarbonyl)amino][1,2,4]triazolo[1,5-a]pyridin-6-yl}oxy)-2-methylphenyl]-2,4-dimethyl-1,3-oxazole-5-carboxamide
REACTIONS
参与反应
uspto-grants-2012_11 · 10.6084/m9.figshare.5104873.v1 · US08304557B2
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