2-[6-Fluoro-1-(2-morpholin-4-yl-ethyl)-1H-indazol-3-yl]-5-(2-trimethylsilanylethoxymethyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxylic acid (1-pyridin-4-yl-ethyl)-amide (HCID 71288445)

基本情報

標準SMILES: CC(NC(=O)c1cn(COCC[Si](C)(C)C)c2ncc(-c3nn(CCN4CCOCC4)c4cc(F)ccc34)nc12)c1ccncc1
InChIKey: ZVLHQRJWJRAZNA-UHFFFAOYSA-N
分子式: C33H41FN8O3Si
平均分子量: 644.8 g/mol

名称と識別子

優先名称: 2-[6-Fluoro-1-(2-morpholin-4-yl-ethyl)-1H-indazol-3-yl]-5-(2-trimethylsilanylethoxymethyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxylic acid (1-pyridin-4-yl-ethyl)-amide
IUPAC: 2-[6-fluoro-1-(2-morpholin-4-ylethyl)indazol-3-yl]-N-(1-pyridin-4-ylethyl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide

名称と別名

SCHEMBL14751363ZVLHQRJWJRAZNA-UHFFFAOYSA-N2-[6-fluoro-1-(2-morpholin-4-yl-ethyl)-1H-indazol-3-yl]-5-(2-trimethylsilanyl-ethoxymethyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxylic acid (1-pyridin-4-yl-ethyl)-amide2-[6-Fluoro-1-(2-morpholin-4-yl-ethyl)-1H-indazol-3-yl]-5-(2-trimethylsilanylethoxymethyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxylic acid (1-pyridin-4-yl-ethyl)-amide

データベース識別子

PubChem CID: 71288445

物性

構造計算による物性

極性表面積: 112 Å²
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: 12
重原子数: 46
形式電荷: 0
複雑度: 983

化合物ノート

読み込み中…