2-[3,5-Bis(trifluoromethyl)phenyl]-N-(4-(4-fluoro-2-methylphenyl)-6-[(8aS)-3-oxohexahydropyrrolo[1,2-a]pyrazin-2(1H)-yl]-3-pyridinyl}-N,2-dimethylpropanamide (HCID 16063684)

基本情報

標準SMILES: Cc1cc(F)ccc1-c1cc(N2C[C@@H]3CCCN3CC2=O)ncc1N(C)C(=O)C(C)(C)c1cc(C(F)(F)F)cc(C(F)(F)F)c1
InChIKey: LGPWLMVSTZACPW-QHCPKHFHSA-N
分子式: C32H31F7N4O2
平均分子量: 636.6 g/mol

名称と識別子

優先名称: 2-[3,5-Bis(trifluoromethyl)phenyl]-N-(4-(4-fluoro-2-methylphenyl)-6-[(8aS)-3-oxohexahydropyrrolo[1,2-a]pyrazin-2(1H)-yl]-3-pyridinyl}-N,2-dimethylpropanamide
IUPAC: N-[6-[(8aS)-3-oxo-1,4,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-2-yl]-4-(4-fluoro-2-methylphenyl)-3-pyridinyl]-2-[3,5-bis(trifluoromethyl)phenyl]-N,2-dimethylpropanamide

名称と別名

2-[3,5-Bis(trifluoromethyl)phenyl]-N-(4-(4-fluoro-2-methylphenyl)-6-[(8aS)-3-oxohexahydropyrrolo[1,2-a]pyrazin-2(1H)-yl]-3-pyridinyl}-N,2-dimethylpropanamide2-[3,5-Bis(trifluoromethyl)phenyl]-N-{4-(4-fluoro-2-methylphenyl)-6-[(8aS)-3-oxohexahydropyrrolo[1,2-a]pyrazin-2(1H)-yl]-3-pyridinyl}-N,2-dimethylpropanamideSCHEMBL337756

データベース識別子

PubChem CID: 16063684

物性

構造計算による物性

XLogP: 6.7
極性表面積: 56.8 Å²
水素結合供与体数: 0
水素結合受容体数: 11
回転可能結合数: 5
重原子数: 45
形式電荷: 0
複雑度: 1,060

化合物ノート

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