uspto-grants-2003_08 · 10.6084/m9.figshare.5104873.v1 · US06610688B2
查看![4-(3-Chloro-4-fluoro-phenylamino)-5-[3-methyl-5-(4-methyl-piperazine-1-carbonyl)-1H-pyrrol-2-yl-methylene]-5,7-dihydro-pyrrolo[2,3-D]pyrimidin-6-one 分子结构式](/api/mol/69795299/svg/360x280.svg)
HCID69795299
4-(3-Chloro-4-fluoro-phenylamino)-5-[3-methyl-5-(4-methyl-piperazine-1-carbonyl)-1H-pyrrol-2-yl-methylene]-5,7-dihydro-pyrrolo[2,3-D]pyrimidin-6-one
4-(3-chloro-4-fluoroanilino)-5-[[3-methyl-5-(4-methylpiperazine-1-carbonyl)-1H-pyrrol-2-yl]methylidene]-7H-pyrrolo[2,3-d]pyrimidin-6-one
C24H23ClFN7O2495.9 g/mol
IDENTITY
结构与身份
- 标准SMILES
- Cc1cc(C(=O)N2CCN(C)CC2)[nH]c1C=C1C(=O)Nc2ncnc(Nc3ccc(F)c(Cl)c3)c21
- InChIKey
- FNFNGVSJMJREKW-UHFFFAOYSA-N
- 分子式
- C24H23ClFN7O2
- 平均分子量
- 495.9 g/mol
- 单同位素质量
- 495.1585789
COMPUTED
结构计算性质
- XLogP
- 2.9
- 极性表面积
- 106 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
- 839
ALIASES
名称与别名
SCHEMBL6480455FNFNGVSJMJREKW-UHFFFAOYSA-N4-(3-Chloro-4-fluoro-phenylamino)-5-[3-methyl-5-(4-methyl-piperazine-1-carbonyl)-1H-pyrrol-2-yl-methylene]-5,7-dihydro-pyrrolo[2,3-D]pyrimidin-6-one4-(3-CHLORO-4-FLUORO-PHENYLAMINO)-5-[3-METHYL-5-(4-METHYL-PIPERAZINE-1-CARBONYL)-1H-PYRROL-2-YLMETHYLENE]-5,7-DIHYDRO-PYRROLO [2,3-D]PYRIMIDIN-6-ONE4-(3-CHLORO-4-FLUORO-PHENYLAMINO)-5-[3-METHYL-5-(4-METHYL-PIPERAZINE-1-CARBONYL)-1H-PYRROL-2-YLMETHYLENE]-5,7-DIHYDRO-PYRROLO[2,3-D]PYRIMIDIN-6-ONE
REACTIONS
