N-((S)-3,3-dimethyl-1-((S)-2-(methyl-carbamoyl)pyrrolidin-1-yl)-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 59345313
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기본 정보

표준 SMILES
CNC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)n1nc(-c2cc(F)c(F)cc2F)c2c1CCN(C)C2)C(C)(C)C
InChIKey
ALFOOPPNQSRRRC-RBBKRZOGSA-N
분자식
C26H33F3N6O3
평균 분자량
534.6 g/mol

이름 및 식별자

우선 이름
N-((S)-3,3-dimethyl-1-((S)-2-(methyl-carbamoyl)pyrrolidin-1-yl)-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-[(2S)-2-(methylcarbamoyl)pyrrolidin-1-yl]-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

SCHEMBL1336847ALFOOPPNQSRRRC-RBBKRZOGSA-NN-((S)-3,3-dimethyl-1-((S)-2-(methyl-carbamoyl)pyrrolidin-1-yl)-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
59345313

물성

구조 계산 물성

XLogP
3
극성 표면적
99.6 Ų
수소 결합 공여자 수
2
수소 결합 수용자 수
8
회전 가능 결합 수
5
무거운 원자 수
38

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N-((S)-3,3-dimethyl-1-((S)-2-(methyl-carbamoyl)pyrrolidin-1-yl)-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 59345313)｜Huagongshe