2-(6-fluoro-1-methyl-1H-indazol-3-yl)-5-(2-trimethylsilanyl-ethoxymethyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxylic acid ((S)-1-hydroxymethyl-3-methylsulfanyl-propyl)-amide

HCID 71286012
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기본 정보

표준 SMILES
CSCC[C@@H](CO)NC(=O)c1cn(COCC[Si](C)(C)C)c2ncc(-c3nn(C)c4cc(F)ccc34)nc12
InChIKey
UBDUNGULRBEAJP-SFHVURJKSA-N
분자식
C26H35FN6O3SSi
평균 분자량
558.7 g/mol

이름 및 식별자

우선 이름
2-(6-fluoro-1-methyl-1H-indazol-3-yl)-5-(2-trimethylsilanyl-ethoxymethyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxylic acid ((S)-1-hydroxymethyl-3-methylsulfanyl-propyl)-amide
IUPAC
2-(6-fluoro-1-methylindazol-3-yl)-N-[(2S)-1-hydroxy-4-methylsulfanylbutan-2-yl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide

이름 및 동의어

SCHEMBL14746919UBDUNGULRBEAJP-SFHVURJKSA-N2-(6-fluoro-1-methyl-1H-indazol-3-yl)-5-(2-trimethylsilanyl-ethoxymethyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxylic acid ((S)-1-hydroxymethyl-3-methylsulfanyl-propyl)-amide

데이터베이스 식별자

PubChem CID
71286012

물성

구조 계산 물성

극성 표면적
132 Ų
수소 결합 공여자 수
2
수소 결합 수용자 수
8
회전 가능 결합 수
12
무거운 원자 수
38

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