Training data from https://doi.org/10.1039/C8SC04228D (6/10) · 10.1039/C8SC04228D
查看![N-{5-[(cyclopropylamino)carbonyl]-2-methylphenyl}-2-(imidazo[1,2-a]pyridin-2-ylmethoxy)pyrimidine-5-carboxamide 分子结构式](/api/mol/11396588/svg/360x280.svg)
IDENTITY
结构与身份
- 标准SMILES
- Cc1ccc(C(=O)NC2CC2)cc1NC(=O)c1cnc(OCc2cn3ccccc3n2)nc1
- InChIKey
- IRZPYVYXQGKEGM-UHFFFAOYSA-N
- 分子式
- C24H22N6O3
- 平均分子量
- 442.5 g/mol
- 单同位素质量
- 442.17533859
COMPUTED
结构计算性质
- XLogP
- 2.9
- 极性表面积
- 111 Ų
- 氢键供体
- 2
- 氢键受体
- 6
- 可旋转键
- 7
- 重原子
- 33
- 形式电荷
- 0
- 复杂度
- 696
ALIASES
名称与别名
SCHEMBL243744IRZPYVYXQGKEGM-UHFFFAOYSA-NN-{5-[(cyclopropylamino)carbonyl]-2-methylphenyl}-2-(imidazo [1,2-a]pyridin-2-ylmethoxy)pyrimidine-5-carboxamideN-{5-[(cyclopropylamino)carbonyl]-2-methylphenyl}-2-(imidazo[1,2-a]pyridin-2-ylmethoxy)pyrimidine-5-carboxamide
REACTIONS
