1-[3,5-Bis(trifluoromethyl)phenyl]-N-{4-(4-fluoro-2-methylphenyl)-6-[(8aR)-hexahydropyrrolo[1,2-a]pyrazin-2(1H)-yl]-3-pyridinyl}-N-methylcyclopropanecarboxamide (HCID 59215812)

基本情報

標準SMILES: Cc1cc(F)ccc1-c1cc(N2CCN3CCC[C@@H]3C2)ncc1N(C)C(=O)C1(c2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC1
InChIKey: LMXZRKGDPTUTEP-XMMPIXPASA-N
分子式: C32H31F7N4O
平均分子量: 620.6 g/mol

名称と識別子

優先名称: 1-[3,5-Bis(trifluoromethyl)phenyl]-N-{4-(4-fluoro-2-methylphenyl)-6-[(8aR)-hexahydropyrrolo[1,2-a]pyrazin-2(1H)-yl]-3-pyridinyl}-N-methylcyclopropanecarboxamide
IUPAC: N-[6-[(8aR)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-4-(4-fluoro-2-methylphenyl)-3-pyridinyl]-1-[3,5-bis(trifluoromethyl)phenyl]-N-methylcyclopropane-1-carboxamide

名称と別名

1-[3,5-Bis(trifluoromethyl)phenyl]-N-{4-(4-fluoro-2-methylphenyl)-6-[(8aR)-hexahydropyrrolo[1,2-a]pyrazin-2(1H)-yl]-3-pyridinyl}-N-methylcyclopropanecarboxamideSCHEMBL3370761-[3,5-Bis(trifluoromethyl)phenyl]-N-{4-(4-fluoro-2-methylphenyl)-6-[(8aR) -hexahydropyrrolo[1,2-a]pyrazin-2(1H)-yl]-3-pyridinyl}-N -methylcyclopropanecarboxamide

データベース識別子

PubChem CID: 59215812

物性

構造計算による物性

XLogP: 6.8
極性表面積: 39.7 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: 44
形式電荷: 0
複雑度: 1,010

化合物ノート

読み込み中…