uspto-grants-2014_11 · 10.6084/m9.figshare.5104873.v1 · US08895544B2
查看![2-Fluoro-4-{3-[5-(4-hydroxy-benzyl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-6-yl}-5-(2,2,2-trifluoro-ethyl)-phenol 分子结构式](/api/mol/178516078/svg/360x280.svg)
HCID178516078
2-Fluoro-4-{3-[5-(4-hydroxy-benzyl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-6-yl}-5-(2,2,2-trifluoro-ethyl)-phenol
2-fluoro-4-[3-[5-[(4-hydroxyphenyl)methyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-2-yl]-1H-indazol-6-yl]-5-(2,2,2-trifluoroethyl)phenol
C28H23F4N5O2537.5 g/mol
IDENTITY
结构与身份
- 标准SMILES
- Oc1ccc(CN2CCc3[nH]c(-c4n[nH]c5cc(-c6cc(F)c(O)cc6CC(F)(F)F)ccc45)nc3C2)cc1
- InChIKey
- XZINPONUPOHBGK-UHFFFAOYSA-N
- 分子式
- C28H23F4N5O2
- 平均分子量
- 537.5 g/mol
- 单同位素质量
- 537.17878764
COMPUTED
结构计算性质
- XLogP
- 5.2
- 极性表面积
- 101 Ų
- 氢键供体
- 4
- 氢键受体
- 9
- 可旋转键
- 5
- 重原子
- 39
- 形式电荷
- 0
- 复杂度
- 830
ALIASES
名称与别名
2-Fluoro-4-{3-[5-(4-hydroxy-benzyl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-6-yl}-5-(2,2,2-trifluoro-ethyl)-phenolSCHEMBL14658948NJPGFSOJOUOLAD-UHFFFAOYSA-N2-Fluoro-4-{3-[5-(4-hydroxy-benzyl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-d]pyridin-2-yl]-1H-indazol-6-yl}-5-(2,2,2-trifluoro-ethyl)-phenol
REACTIONS
