N-{3-[(5-cyano-2-[(1-methyl-1H-pyrazol-4-yl)amino]-7-{[2-(trimethylsilyl)ethoxy]methyl}-7H-pyrrolo[2,3-d]pyrimidin-4-yl)oxy]cyclobutyl}prop-2-enamide
기본 정보
- 표준 SMILES
C=CC(=O)NC1CC(Oc2nc(Nc3cnn(C)c3)nc3c2c(C#N)cn3COCC[Si](C)(C)C)C1- InChIKey
IEZHBYXXKIKOBZ-UHFFFAOYSA-N- 분자식
- C24H32N8O3Si
- 평균 분자량
- 508.6 g/mol
이름 및 식별자
- 우선 이름
- N-{3-[(5-cyano-2-[(1-methyl-1H-pyrazol-4-yl)amino]-7-{[2-(trimethylsilyl)ethoxy]methyl}-7H-pyrrolo[2,3-d]pyrimidin-4-yl)oxy]cyclobutyl}prop-2-enamide
- IUPAC
- N-[3-[5-cyano-2-[(1-methylpyrazol-4-yl)amino]-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]oxycyclobutyl]prop-2-enamide
이름 및 동의어
SCHEMBL14801610IEZHBYXXKIKOBZ-UAPYVXQJSA-NIEZHBYXXKIKOBZ-UHFFFAOYSA-NN-{3-[(5-cyano-2-[(1-methyl-1H-pyrazol-4-yl)amino]-7-{[2-(trimethylsilyl)ethoxy]methyl}-7H-pyrrolo[2,3-d]pyrimidin-4-yl)oxy]cyclobutyl}prop-2-enamidetrans N-{3-[(5-cyano-2-[(1-methyl-1H-pyrazol-4-yl)amino]-7-{[2-(trimethylsilyl)ethoxy]methyl}-7H-pyrrolo[2,3-d]pyrimidin-4-yl)oxy]cyclobutyl}prop-2-enamide
데이터베이스 식별자
- PubChem CID
- 86679625
물성
구조 계산 물성
- 극성 표면적
- 132 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 8
- 회전 가능 결합 수
- 11
- 무거운 원자 수
- 36
- 형식 전하
- 0
- 복잡도
- 826
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