(S)-N-(3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl)-5-methyl-3-(2,4,5-trifluorophenyl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine-1-carboxamide

HCID 46863441

기본 정보

표준 SMILES
CNC(=O)[C@@H](NC(=O)n1nc(-c2cc(F)c(F)cc2F)c2c1CCN(C)C2)C(C)(C)C
InChIKey
MSOCZEVXNPORDR-GOSISDBHSA-N
분자식
C21H26F3N5O2
평균 분자량
437.5 g/mol

이름 및 식별자

우선 이름
(S)-N-(3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl)-5-methyl-3-(2,4,5-trifluorophenyl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine-1-carboxamide
IUPAC
N-[(2S)-3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]-5-methyl-3-(2,4,5-trifluorophenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-1-carboxamide

이름 및 동의어

SCHEMBL1335509MSOCZEVXNPORDR-GOSISDBHSA-N(S)-N-(3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl)-5-methyl-3-(2,4,5-trifluorophenyl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine-1-carboxamide

데이터베이스 식별자

PubChem CID
46863441

물성

구조 계산 물성

XLogP
2.9
극성 표면적
79.3 Ų
수소 결합 공여자 수
2
수소 결합 수용자 수
7
회전 가능 결합 수
4
무거운 원자 수
31

관련 반응

20건

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