HRID1045507
uspto-grants-2013_10
作为反应物
uspto-grants-2013_10 · 10.6084/m9.figshare.5104873.v1 · US08569295B2
查看HCID70497011
1-(4-Fluoro-phenyl)-2-oxo-1,2-dihydro-pyridine-3-carboxylicacid{6-[3-(4-methoxy-benzyl)-2-oxo-1,2,3,4-tetrahydro-pyrido[2,3-d]pyrimidin-5-yloxy]-1-methyl-1H-indazol-3-yl}-amide
1-(4-fluorophenyl)-N-[6-[[3-[(4-methoxyphenyl)methyl]-2-oxo-1,4-dihydropyrido[2,3-d]pyrimidin-5-yl]oxy]-1-methylindazol-3-yl]-2-oxopyridine-3-carboxamide
C35H28FN7O5645.6 g/mol
IDENTITY
结构与身份
- 标准SMILES
- COc1ccc(CN2Cc3c(Oc4ccc5c(NC(=O)c6cccn(-c7ccc(F)cc7)c6=O)nn(C)c5c4)ccnc3NC2=O)cc1
- InChIKey
- WPNISBVTTAACQY-UHFFFAOYSA-N
- 分子式
- C35H28FN7O5
- 平均分子量
- 645.6 g/mol
- 单同位素质量
- 645.21359518
COMPUTED
结构计算性质
- XLogP
- 4.1
- 极性表面积
- 131 Ų
- 氢键供体
- 2
- 氢键受体
- 8
- 可旋转键
- 8
- 重原子
- 48
- 形式电荷
- 0
- 复杂度
- 1,250
ALIASES
名称与别名
SCHEMBL11027298WPNISBVTTAACQY-UHFFFAOYSA-N1-(4-Fluoro-phenyl)-2-oxo-1,2-dihydro-pyridine-3-carboxylicacid{6-[3-(4-methoxy-benzyl)-2-oxo-1,2,3,4-tetrahydro-pyrido[2,3-d]pyrimidin-5-yloxy]-1-methyl-1H-indazol-3-yl}-amide
REACTIONS