N-(3-fluoro-4-(2-(3-methyl-1,2,4-oxadiazol-5-yl)thieno[3,2-b]pyridin-7-yloxy)phenyl)-1-(2-hydroxy-2-methylpropyl)-5-methyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazole-4-carboxamide

HCID 11963145
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기본 정보

표준 SMILES
Cc1noc(-c2cc3nccc(Oc4ccc(NC(=O)c5c(C)n(CC(C)(C)O)n(-c6ccccc6)c5=O)cc4F)c3s2)n1
InChIKey
KTHBTMQUMOBCSP-UHFFFAOYSA-N
분자식
C31H27FN6O5S
평균 분자량
614.6 g/mol

이름 및 식별자

우선 이름
N-(3-fluoro-4-(2-(3-methyl-1,2,4-oxadiazol-5-yl)thieno[3,2-b]pyridin-7-yloxy)phenyl)-1-(2-hydroxy-2-methylpropyl)-5-methyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazole-4-carboxamide
IUPAC
N-[3-fluoro-4-[2-(3-methyl-1,2,4-oxadiazol-5-yl)thieno[3,2-b]pyridin-7-yl]oxyphenyl]-1-(2-hydroxy-2-methylpropyl)-5-methyl-3-oxo-2-phenylpyrazole-4-carboxamide

이름 및 동의어

SCHEMBL198256KTHBTMQUMOBCSP-UHFFFAOYSA-NN-(3-fluoro-4-(2-(3-methyl-1,2,4-oxadiazol-5-yl)thieno[3,2-b]pyridin-7-yloxy)phenyl)-1-(2-hydroxy-2-methylpropyl)-5-methyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazole-4-carboxamide

데이터베이스 식별자

PubChem CID
11963145

물성

구조 계산 물성

XLogP
4.9
극성 표면적
162 Ų
수소 결합 공여자 수
2
수소 결합 수용자 수
11
회전 가능 결합 수
8
무거운 원자 수
44

관련 반응

3건
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N-(3-fluoro-4-(2-(3-methyl-1,2,4-oxadiazol-5-yl)thieno[3,2-b]pyridin-7-yloxy)phenyl)-1-(2-hydroxy-2-methylpropyl)-5-methyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazole-4-carboxamide (HCID 11963145)｜Huagongshe