3-(1-{[2-(6-chloro-1-methyl-1H-indazol-3-yl)-5-(2-trimethylsilanyl-ethoxymethyl)-5H-pyrrolo[2,3-b]pyrazine-7-carbonyl]-amino}-ethyl)-azetidine-1-carboxylic acid tert-butyl ester

HCID 71280266
부분 구조 검색유사 구조 찾기

기본 정보

표준 SMILES
CC(NC(=O)c1cn(COCC[Si](C)(C)C)c2ncc(-c3nn(C)c4cc(Cl)ccc34)nc12)C1CN(C(=O)OC(C)(C)C)C1
InChIKey
DPFYHEQXXTZJTD-UHFFFAOYSA-N
분자식
C31H42ClN7O4Si
평균 분자량
640.2 g/mol
단동위원소 질량
639.2756071

이름 및 식별자

우선 이름
3-(1-{[2-(6-chloro-1-methyl-1H-indazol-3-yl)-5-(2-trimethylsilanyl-ethoxymethyl)-5H-pyrrolo[2,3-b]pyrazine-7-carbonyl]-amino}-ethyl)-azetidine-1-carboxylic acid tert-butyl ester
IUPAC
tert-butyl 3-[1-[[2-(6-chloro-1-methylindazol-3-yl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carbonyl]amino]ethyl]azetidine-1-carboxylate

이름 및 동의어

SCHEMBL14738200DPFYHEQXXTZJTD-UHFFFAOYSA-N3-(1-{[2-(6-chloro-1-methyl-1H-indazol-3-yl)-5-(2-trimethylsilanyl-ethoxymethyl)-5H-pyrrolo[2,3-b]pyrazine-7-carbonyl]-amino}-ethyl)-azetidine-1-carboxylic acid tert-butyl ester3-(1-{[2-(6-chloro-1-methyl-1H-indazol-3-yl)-5-(2-trimethylsilanylethoxymethyl)-5H-pyrrolo[2,3-b]pyrazine-7-carbonyl]-amino}-ethyl)-azetidine-1-carboxylic acid tert-butyl ester

데이터베이스 식별자

PubChem CID
71280266

물성

구조 계산 물성

극성 표면적
116 Ų
수소 결합 공여자 수
1
수소 결합 수용자 수
7
회전 가능 결합 수
11
무거운 원자 수
44

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