uspto-grants-2014_11 · 10.6084/m9.figshare.5104873.v1 · US08895544B2
查看![{2-[6-(2-Ethyl-5-fluoro-4-hydroxy-phenyl)-1H-indazol-3-yl]-1,4,6,7-tetrahydro-imidazo[4,5-c]pyridin-5-yl}-isothiazol-3-yl-methanone 分子结构式](/api/mol/178436918/svg/360x280.svg)
HCID178436918
{2-[6-(2-Ethyl-5-fluoro-4-hydroxy-phenyl)-1H-indazol-3-yl]-1,4,6,7-tetrahydro-imidazo[4,5-c]pyridin-5-yl}-isothiazol-3-yl-methanone
[2-[6-(2-ethyl-5-fluoro-4-hydroxyphenyl)-1H-indazol-3-yl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-(1,2-thiazol-3-yl)methanone
C25H21FN6O2S488.5 g/mol
IDENTITY
结构与身份
- 标准SMILES
- CCc1cc(O)c(F)cc1-c1ccc2c(-c3nc4c([nH]3)CCN(C(=O)c3ccsn3)C4)n[nH]c2c1
- InChIKey
- NZXZOMXHKCFGLS-UHFFFAOYSA-N
- 分子式
- C25H21FN6O2S
- 平均分子量
- 488.5 g/mol
- 单同位素质量
- 488.14307327
COMPUTED
结构计算性质
- XLogP
- 4
- 极性表面积
- 139 Ų
- 氢键供体
- 3
- 氢键受体
- 7
- 可旋转键
- 4
- 重原子
- 35
- 形式电荷
- 0
- 复杂度
- 780
ALIASES
名称与别名
CHEMBL3644619SCHEMBL14659118NZXZOMXHKCFGLS-UHFFFAOYSA-N{2-[6-(2-Ethyl-5-fluoro-4-hydroxy-phenyl)-1H-indazol-3-yl]-1,4,6,7-tetrahydro-imidazo[4,5-c]pyridin-5-yl}-isothiazol-3-yl-methanone
REACTIONS
