5-[7-Difluoromethyl-5-(3-trifluoromethyl-phenyl)-pyrazolo[1,5-a]pyrimidin-3-ylethynyl]-thiophene-2-sulfonic acid (2-hydroxy-1,1-dimethyl-ethyl)-amide

HCID 67001029

기본 정보

표준 SMILES
CC(C)(CO)NS(=O)(=O)c1ccc(C#Cc2cnn3c(C(F)F)cc(-c4cccc(C(F)(F)F)c4)nc23)s1
InChIKey
ZIHSUTXGRBNVPR-UHFFFAOYSA-N
분자식
C24H19F5N4O3S2
평균 분자량
570.6 g/mol

이름 및 식별자

우선 이름
5-[7-Difluoromethyl-5-(3-trifluoromethyl-phenyl)-pyrazolo[1,5-a]pyrimidin-3-ylethynyl]-thiophene-2-sulfonic acid (2-hydroxy-1,1-dimethyl-ethyl)-amide
IUPAC
5-[2-[7-(difluoromethyl)-5-[3-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]ethynyl]-N-(1-hydroxy-2-methylpropan-2-yl)thiophene-2-sulfonamide

이름 및 동의어

5-[7-Difluoromethyl-5-(3-trifluoromethyl-phenyl)-pyrazolo[1,5-a]pyrimidin-3-ylethynyl]-thiophene-2-sulfonic acid (2-hydroxy-1,1-dimethyl-ethyl)-amideSCHEMBL1348820

데이터베이스 식별자

PubChem CID
67001029

물성

구조 계산 물성

XLogP
4.5
극성 표면적
133 Ų
수소 결합 공여자 수
2
수소 결합 수용자 수
12
회전 가능 결합 수
8
무거운 원자 수
38

관련 반응

5건

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