uspto-grants-2014_11 · 10.6084/m9.figshare.5104873.v1 · US08895544B2
查看![5-Ethyl-2-fluoro-4-{3-[5-(6-morpholin-4-yl-pyridine-3-sulfonyl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-6-yl}-phenol 分子结构式](/api/mol/178436939/svg/360x280.svg)
HCID178436939
5-Ethyl-2-fluoro-4-{3-[5-(6-morpholin-4-yl-pyridine-3-sulfonyl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-6-yl}-phenol
5-ethyl-2-fluoro-4-[3-[5-[(6-morpholin-4-yl-3-pyridinyl)sulfonyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-2-yl]-1H-indazol-6-yl]phenol
C30H30FN7O4S603.7 g/mol
IDENTITY
结构与身份
- 标准SMILES
- CCc1cc(O)c(F)cc1-c1ccc2c(-c3nc4c([nH]3)CCN(S(=O)(=O)c3ccc(N5CCOCC5)nc3)C4)n[nH]c2c1
- InChIKey
- IMRNHDKHIFRPST-UHFFFAOYSA-N
- 分子式
- C30H30FN7O4S
- 平均分子量
- 603.7 g/mol
- 单同位素质量
- 603.2064018
COMPUTED
结构计算性质
- XLogP
- 3.3
- 极性表面积
- 149 Ų
- 氢键供体
- 3
- 氢键受体
- 10
- 可旋转键
- 6
- 重原子
- 43
- 形式电荷
- 0
- 复杂度
- 1,060
ALIASES
名称与别名
CHEMBL3644621SCHEMBL14659182IMRNHDKHIFRPST-UHFFFAOYSA-N5-Ethyl-2-fluoro-4-{3-[5-(6-morpholin-4-yl-pyridine-3-sulfonyl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-6-yl}-phenol
REACTIONS
参与反应