5-(5-Fluoro-2-(hydroxymethyl)-3-(6,6-dimethyl-3,4,6,7-tetrahydro-5H-cyclopenta[4,5]thieno[2,3-c]pyridine-1 (2H)-yl)phenyl)-1-methyl-3-(2-methylisoindolin-5-ylamino)pyrazin-2(1H)-one
基本情報
- 標準SMILES
CN1Cc2ccc(Nc3nc(-c4cc(F)cc(C5NCCc6c5sc5c6CC(C)(C)C5)c4CO)cn(C)c3=O)cc2C1- InChIKey
QJZJUXIVVYWKPF-UHFFFAOYSA-N- 分子式
- C33H36FN5O2S
- 平均分子量
- 585.7 g/mol
名称と識別子
- 優先名称
- 5-(5-Fluoro-2-(hydroxymethyl)-3-(6,6-dimethyl-3,4,6,7-tetrahydro-5H-cyclopenta[4,5]thieno[2,3-c]pyridine-1 (2H)-yl)phenyl)-1-methyl-3-(2-methylisoindolin-5-ylamino)pyrazin-2(1H)-one
- IUPAC
- 5-[3-(4,4-dimethyl-7-thia-10-azatricyclo[6.4.0.02,6]dodeca-1(8),2(6)-dien-9-yl)-5-fluoro-2-(hydroxymethyl)phenyl]-1-methyl-3-[(2-methyl-1,3-dihydroisoindol-5-yl)amino]pyrazin-2-one
名称と別名
SCHEMBL1393582QJZJUXIVVYWKPF-UHFFFAOYSA-N5-(5-Fluoro-2-(hydroxymethyl)-3-(6,6-dimethyl-3,4,6,7-tetrahydro-5H-cyclopenta[4,5]thieno[2,3-c]pyridine-1 (2H)-yl)phenyl)-1-methyl-3-(2-methylisoindolin-5-ylamino)pyrazin-2(1H)-one5-(5-Fluoro-2-(hydroxymethyl)-3-(6,6-dimethyl-3,4,6,7-tetrahydro-5H-cyclopenta[4,5]thieno[2,3-c]pyridine-1(2H)-yl)phenyl)-1-methyl-3-(2-methylisoindolin-5-ylamino)pyrazin-2(1H)-one
データベース識別子
- PubChem CID
- 67016377
物性
構造計算による物性
- XLogP
- 3.4
- 極性表面積
- 108 Ų
- 水素結合供与体数
- 3
- 水素結合受容体数
- 7
- 回転可能結合数
- 5
- 重原子数
- 42
- 形式電荷
- 0
- 複雑度
- 1,120
関連反応
1 件
化合物ノート
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