基本情報
- 標準SMILES
C[C@@H](NC(=O)c1cn(COCC[Si](C)(C)C)c2ncc(-c3nn(CCOC4CCCCO4)c4cc(Cl)ccc34)nc12)C(=O)N1CC(C#N)C1- InChIKey
FQAJBVVMXKBDEP-DMDVIOLWSA-N- 分子式
- C34H43ClN8O5Si
- 平均分子量
- 707.3 g/mol
- 単同位体質量
- 706.2814207
名称と識別子
- 優先名称
- 2-{6-chloro-1-[2-(tetrahydro-pyran-2-yloxy)-ethyl]-1H-indazol-3-yl}-5-(2-trimethylsilanyl-ethoxymethyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxylic acid [(R)-2-(3-cyano-azetidin-1-yl)-1-methyl-2-oxo-ethyl]-amide
- IUPAC
- 2-[6-chloro-1-[2-(oxan-2-yloxy)ethyl]indazol-3-yl]-N-[(2R)-1-(3-cyanoazetidin-1-yl)-1-oxopropan-2-yl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide
名称と別名
SCHEMBL14752163FQAJBVVMXKBDEP-DMDVIOLWSA-N2-{6-chloro-1-[2-(tetrahydro-pyran-2-yloxy)-ethyl]-1H-indazol-3-yl}-5-(2-trimethylsilanyl-ethoxymethyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxylic acid [(R)-2-(3-cyano-azetidin-1-yl)-1-methyl-2-oxo-ethyl]-amide2-{6-chloro-1-[2-(tetrahydro-pyran-2-yloxy)-ethyl]-1H-indazol-3-yl}-5-(2-trimethylsilanyl-ethoxymethyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxylic acid [(R)-2-(3-cyanoazetidin-1-yl)-1-methyl-2-oxo-ethyl]-amide2-{6-chloro-1-[2-(tetrahydro-pyran-2-yloxy)-ethyl]-1H-indazol-3-yl}-5-(2-trimethylsilanylethoxymethyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxylic acid [(R)-2-(3-cyano-azetidin-1-yl)-1-methyl-2-oxo-ethyl]-amide
データベース識別子
- PubChem CID
- 71288909
物性
構造計算による物性
- 極性表面積
- 149 Ų
- 水素結合供与体数
- 1
- 水素結合受容体数
- 9
- 回転可能結合数
- 13
- 重原子数
- 49
- 形式電荷
- 0
- 複雑度
- 1,200
関連反応
2 件
化合物ノート
読み込み中…