4-[1-(2-Fluoro-4-methanesulfonyl-phenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yloxy]-piperidine-1-carboxylic acid tert-butyl ester

HCID 53630394

기본 정보

표준 SMILES
CC(C)(C)OC(=O)N1CCC(Oc2ncnc3c2cnn3-c2ccc(S(C)(=O)=O)cc2F)CC1
InChIKey
FEAQKOJMPVAIBR-UHFFFAOYSA-N
분자식
C22H26FN5O5S
평균 분자량
491.5 g/mol

이름 및 식별자

우선 이름
4-[1-(2-Fluoro-4-methanesulfonyl-phenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yloxy]-piperidine-1-carboxylic acid tert-butyl ester
IUPAC
tert-butyl 4-[1-(2-fluoro-4-methylsulfonylphenyl)pyrazolo[5,4-d]pyrimidin-4-yl]oxypiperidine-1-carboxylate

이름 및 동의어

CHEMBL1775178compound 3j [PMID: 21444206]SCHEMBL390398GTPL5738PMID21444206C3jFEAQKOJMPVAIBR-UHFFFAOYSA-NBDBM503434464-[1-(2-Fluoro-4-methanesulfonyl-phenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yloxy]-piperidine-1-carboxylic acid tert-butyl esterQ27076620tert-butyl 4-(1-(2-fluoro-4-(methylsulfonyl)phenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yloxy)piperidine-1-carboxylatetert-butyl 4-{[1-(2-fluoro-4-methanesulfonylphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]oxy}piperidine-1-carboxylate

데이터베이스 식별자

PubChem CID
53630394
ChEMBL
CHEMBL1775178

물성

구조 계산 물성

XLogP
2.9
극성 표면적
125 Ų
수소 결합 공여자 수
0
수소 결합 수용자 수
9
회전 가능 결합 수
6
무거운 원자 수
34

관련 반응

4건

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