5-[7-Difluoromethyl-5-(4-trifluoromethyl-phenyl)-pyrazolo[1,5-a]pyrimidin-3-ylethynyl]-N-(2-hydroxy-1,1-dimethyl-ethyl)-2-methoxy-benzenesulfonamide

HCID 11851815

기본 정보

표준 SMILES
COc1ccc(C#Cc2cnn3c(C(F)F)cc(-c4ccc(C(F)(F)F)cc4)nc23)cc1S(=O)(=O)NC(C)(C)CO
InChIKey
FUVPCOLFQPIBHS-UHFFFAOYSA-N
분자식
C27H23F5N4O4S
평균 분자량
594.6 g/mol
단동위원소 질량
594.13601721

이름 및 식별자

우선 이름
5-[7-Difluoromethyl-5-(4-trifluoromethyl-phenyl)-pyrazolo[1,5-a]pyrimidin-3-ylethynyl]-N-(2-hydroxy-1,1-dimethyl-ethyl)-2-methoxy-benzenesulfonamide
IUPAC
5-[2-[7-(difluoromethyl)-5-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]ethynyl]-N-(1-hydroxy-2-methylpropan-2-yl)-2-methoxybenzenesulfonamide

이름 및 동의어

5-[7-Difluoromethyl-5-(4-trifluoromethyl-phenyl)-pyrazolo[1,5-a]pyrimidin-3-ylethynyl]-N-(2-hydroxy-1,1-dimethyl-ethyl)-2-methoxy-benzenesulfonamideSCHEMBL13480705-[7-Difluoromethyl-5-(4-trifluoromethyl-phenyl)-pyrazolo[1,5-alpha]pyrimidin-3-ylethynyl]-N-(2-hydroxy-1,1-dimethyl-ethyl)-2-methoxy-benzenesulfonamide

데이터베이스 식별자

PubChem CID
11851815

물성

구조 계산 물성

XLogP
4.4
극성 표면적
114 Ų
수소 결합 공여자 수
2
수소 결합 수용자 수
12
회전 가능 결합 수
9
무거운 원자 수
41

관련 반응

5건

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