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

HCID 16063683
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기본 정보

표준 SMILES
Cc1cc(F)ccc1-c1cc(N2CCN3C(=O)CC[C@@H]3C2)ncc1N(C)C(=O)C1(c2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC1
InChIKey
GNMCAUQCIIBWNW-HSZRJFAPSA-N
분자식
C32H29F7N4O2
평균 분자량
634.6 g/mol

이름 및 식별자

우선 이름
1-[3,5-Bis(trifluoromethyl)phenyl]-N-{4-(4-fluoro-2-methylphenyl)-6-[(8aR)-6-oxohexahydropyrrolo[1,2-a]pyrazin-2(1H)-yl]-3-pyridinyl}-N-methylcyclopropanecarboxamide
IUPAC
N-[6-[(8aR)-6-oxo-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-2-yl]-4-(4-fluoro-2-methylphenyl)-3-pyridinyl]-1-[3,5-bis(trifluoromethyl)phenyl]-N-methylcyclopropane-1-carboxamide

이름 및 동의어

1-[3,5-Bis(trifluoromethyl)phenyl]-N-{4-(4-fluoro-2-methylphenyl)-6-[(8aR)-6-oxohexahydropyrrolo[1,2-a]pyrazin-2(1H)-yl]-3-pyridinyl}-N-methylcyclopropanecarboxamideSCHEMBL3381301-[3,5-Bis(trifluoromethyl)phenyl]-N-{4-(4-fluoro-2-methylphenyl)-6-[(8aR)-6-oxohexahydropyrrolo[1,2-a]pyrazin-2(1H)-yl]-3-pyridinyl}-N -methylcyclopropanecarboxamide

데이터베이스 식별자

PubChem CID
16063683

물성

구조 계산 물성

XLogP
5.9
극성 표면적
56.8 Ų
수소 결합 공여자 수
0
수소 결합 수용자 수
11
회전 가능 결합 수
5
무거운 원자 수
45

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