4-[6-(4-Hydroxy-phenyl)-3-{(E)-2-[3-(2-oxo-pyrrolidin-1-yl)-phenyl]-vinyl}-1-(tetrahydro-pyran-2-yl)-1H-pyrazolo[3,4-b]pyridine-4-carbonyl]-piperazine-1-carboxylic acid tert-butyl ester

HCID 136359506
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기본 정보

표준 SMILES
CC(C)(C)OC(=O)N1CCN(C(=O)c2cc(-c3ccc(O)cc3)nc3c2c(/C=C/c2cccc(N4CCCC4=O)c2)nn3C2CCCCO2)CC1
InChIKey
AHIVSNHERVFYMN-SFQUDFHCSA-N
분자식
C39H44N6O6
평균 분자량
692.8 g/mol

이름 및 식별자

우선 이름
4-[6-(4-Hydroxy-phenyl)-3-{(E)-2-[3-(2-oxo-pyrrolidin-1-yl)-phenyl]-vinyl}-1-(tetrahydro-pyran-2-yl)-1H-pyrazolo[3,4-b]pyridine-4-carbonyl]-piperazine-1-carboxylic acid tert-butyl ester
IUPAC
tert-butyl 4-[6-(4-hydroxyphenyl)-1-(oxan-2-yl)-3-[(E)-2-[3-(2-oxopyrrolidin-1-yl)phenyl]ethenyl]pyrazolo[5,4-b]pyridine-4-carbonyl]piperazine-1-carboxylate

이름 및 동의어

SCHEMBL14759806AHIVSNHERVFYMN-SFQUDFHCSA-N4-[6-(4-Hydroxy-phenyl)-3-{(E)-2-[3-(2-oxo-pyrrolidin-1-yl)-phenyl]-vinyl}-1-(tetrahydro-pyran-2-yl)-1H-pyrazolo[3,4-b]pyridine-4-carbonyl]-piperazine-1-carboxylic acid tert-butyl ester4-[6-(4-Hydroxy-phenyl)-3-{(E)-2-[3-(2-oxo-pyrrolidin-1-yl)-phenyl]-vinyl}-1-(tetrahydropyran-2-yl)-1H-pyrazolo[3,4-b]pyridine-4-carbonyl]-piperazine-1-carboxylic acid tert-butyl ester

데이터베이스 식별자

PubChem CID
136359506

물성

구조 계산 물성

XLogP
4.8
극성 표면적
130 Ų
수소 결합 공여자 수
1
수소 결합 수용자 수
8
회전 가능 결합 수
8
무거운 원자 수
51

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