7-[(3R)-3-[(1,1-dimethylethoxycarbonyl)amino]-4-(3,4-difluorophenyl)butanoyl]-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine

HCID 67058481

기본 정보

표준 SMILES
CC(C)(C)OC(=O)N[C@@H](CC(=O)N1CCn2cc(C(F)(F)F)nc2C1)Cc1ccc(F)c(F)c1
InChIKey
CQLSYCWULOEZCJ-CQSZACIVSA-N
분자식
C22H25F5N4O3
평균 분자량
488.5 g/mol

이름 및 식별자

우선 이름
7-[(3R)-3-[(1,1-dimethylethoxycarbonyl)amino]-4-(3,4-difluorophenyl)butanoyl]-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine
IUPAC
tert-butyl N-[(2R)-1-(3,4-difluorophenyl)-4-oxo-4-[2-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]butan-2-yl]carbamate

이름 및 동의어

7-[(3R)-3-[(1,1-dimethylethoxycarbonyl)amino]-4-(3,4-difluorophenyl)butanoyl]-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazineSCHEMBL15092297-[(3R)-3 -[(1,1-dimethylethoxycarbonyl)amino]-4-(3,4-difluorophenyl)butanoyl]-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-alpha]pyrazine7-[(3R)-3-[(1,1-dimethylethoxycarbonyl)amino]-4-(3,4-difluorophenyl)butanoyl]-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-alpha]pyrazine7-[(3R)-3-[(1,1-dimethylethoxycarbonyl)amino]-4-(3,4-difluorophenyl)butanoyl]-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazol[1,2-a]pyrazine

데이터베이스 식별자

PubChem CID
67058481

물성

구조 계산 물성

XLogP
2.8
극성 표면적
76.5 Ų
수소 결합 공여자 수
1
수소 결합 수용자 수
9
회전 가능 결합 수
7
무거운 원자 수
34

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