uspto-grants-2013_09 · 10.6084/m9.figshare.5104873.v1 · US08541432B2
查看![N-(3-(isopropylcarbamoyl)-5-(trifluoromethyl)phenyl)-5-(5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yloxy)-1H-indole-1-carboxamide 分子结构式](/api/mol/59394360/svg/360x280.svg)
HCID59394360
N-(3-(isopropylcarbamoyl)-5-(trifluoromethyl)phenyl)-5-(5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yloxy)-1H-indole-1-carboxamide
N-[3-(propan-2-ylcarbamoyl)-5-(trifluoromethyl)phenyl]-5-(5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yloxy)indole-1-carboxamide
C27H25F3N6O3538.5 g/mol
IDENTITY
结构与身份
- 标准SMILES
- CC(C)NC(=O)c1cc(NC(=O)n2ccc3cc(Oc4ncnc5c4CCNC5)ccc32)cc(C(F)(F)F)c1
- InChIKey
- ACFSAUBMOHYKIA-UHFFFAOYSA-N
- 分子式
- C27H25F3N6O3
- 平均分子量
- 538.5 g/mol
- 单同位素质量
- 538.19402317
COMPUTED
结构计算性质
- XLogP
- 3.8
- 极性表面积
- 110 Ų
- 氢键供体
- 3
- 氢键受体
- 9
- 可旋转键
- 5
- 重原子
- 39
- 形式电荷
- 0
- 复杂度
- 876
ALIASES
名称与别名
N-(3-(isopropylcarbamoyl)-5-(trifluoromethyl)phenyl)-5-(5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yloxy)-1H-indole-1-carboxamideSCHEMBL2796728
REACTIONS
