uspto-grants-2016_05 · 10.6084/m9.figshare.5104873.v1 · US09346815B2
查看![N-[3-[5-chloro-2-(difluoromethoxy)phenyl]-1-[2-[4-(2-methylpropyl)piperazin-1-yl]-2-oxoethyl]-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide 分子结构式](/api/mol/118522821/svg/360x280.svg)
HCID118522821
N-[3-[5-chloro-2-(difluoromethoxy)phenyl]-1-[2-[4-(2-methylpropyl)piperazin-1-yl]-2-oxoethyl]-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
N-[3-[5-chloro-2-(difluoromethoxy)phenyl]-1-[2-[4-(2-methylpropyl)piperazin-1-yl]-2-oxoethyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
C27H29ClF2N8O3587 g/mol
IDENTITY
结构与身份
- 标准SMILES
- CC(C)CN1CCN(C(=O)Cn2cc(NC(=O)c3cnn4cccnc34)c(-c3cc(Cl)ccc3OC(F)F)n2)CC1
- InChIKey
- YSBCADZRMAKWPR-UHFFFAOYSA-N
- 分子式
- C27H29ClF2N8O3
- 平均分子量
- 587 g/mol
- 单同位素质量
- 586.2019208
COMPUTED
结构计算性质
- XLogP
- 3.5
- 极性表面积
- 110 Ų
- 氢键供体
- 1
- 氢键受体
- 9
- 可旋转键
- 9
- 重原子
- 41
- 形式电荷
- 0
- 复杂度
- 899
ALIASES
名称与别名
N-[3-[5-chloro-2-(difluoromethoxy)phenyl]-1-[2-[4-(2-methylpropyl)piperazin-1-yl]-2-oxoethyl]-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamideCHEMBL3900031SCHEMBL17271925BDBM232771US9346815, 317
REACTIONS
参与反应