methyl 2-(1-methyl-6-(trifluoromethyl)-1H-indazol-3-yl)-5-(pivaloyloxymethyl)-5H-pyrrolo[3,2-b]pyrazine-7-carboxylate (HCID 71279523)

基本情報

標準SMILES: COC(=O)c1cn(COC(=O)C(C)(C)C)c2ncc(-c3nn(C)c4cc(C(F)(F)F)ccc34)nc12
InChIKey: KZKDWYOLOFAURH-UHFFFAOYSA-N
分子式: C23H22F3N5O4
平均分子量: 489.4 g/mol

名称と識別子

優先名称: methyl 2-(1-methyl-6-(trifluoromethyl)-1H-indazol-3-yl)-5-(pivaloyloxymethyl)-5H-pyrrolo[3,2-b]pyrazine-7-carboxylate
IUPAC: methyl 5-(2,2-dimethylpropanoyloxymethyl)-2-[1-methyl-6-(trifluoromethyl)indazol-3-yl]pyrrolo[2,3-b]pyrazine-7-carboxylate

名称と別名

methyl 2-(1-methyl-6-(trifluoromethyl)-1H-indazol-3-yl)-5-(pivaloyloxymethyl)-5H-pyrrolo[3,2-b]pyrazine-7-carboxylateSCHEMBL14737201methyl 2-(1-methyl-6-(trifluoromethyl)-1H-indazol-3-yl)-5-(pivaloyl oxymethyl)-5H-pyrrolo[3,2-b]pyrazine-7-carboxylate

データベース識別子

PubChem CID: 71279523

物性

構造計算による物性

XLogP: 3.7
極性表面積: 101 Å²
水素結合供与体数: 0
水素結合受容体数: 10
回転可能結合数: 7
重原子数: 35
形式電荷: 0
複雑度: 807

化合物ノート

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