5-{3-(cyanomethyl)-3-[4-(7-{[2-(trimethylsilyl)ethoxy]methyl}-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1H-pyrazol-1-yl]azetidin-1-yl}-N-[(1S)-2,2,2-trifluoro-1-methylethyl]pyrazine-2-carboxamide

HCID 71143791

기본 정보

표준 SMILES
C[C@H](NC(=O)c1cnc(N2CC(CC#N)(n3cc(-c4ncnc5c4ccn5COCC[Si](C)(C)C)cn3)C2)cn1)C(F)(F)F
InChIKey
ZZQWXYCLMKICJP-IBGZPJMESA-N
분자식
C28H33F3N10O2Si
평균 분자량
626.7 g/mol

이름 및 식별자

우선 이름
5-{3-(cyanomethyl)-3-[4-(7-{[2-(trimethylsilyl)ethoxy]methyl}-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1H-pyrazol-1-yl]azetidin-1-yl}-N-[(1S)-2,2,2-trifluoro-1-methylethyl]pyrazine-2-carboxamide
IUPAC
5-[3-(cyanomethyl)-3-[4-[7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]pyrazol-1-yl]azetidin-1-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyrazine-2-carboxamide

이름 및 동의어

5-{3-(cyanomethyl)-3-[4-(7-{[2-(trimethylsilyl)ethoxy]methyl}-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1H-pyrazol-1-yl]azetidin-1-yl}-N-[(1S)-2,2,2-trifluoro-1-methylethyl]pyrazine-2-carboxamideSCHEMBL14332205

데이터베이스 식별자

PubChem CID
71143791

물성

구조 계산 물성

극성 표면적
140 Ų
수소 결합 공여자 수
1
수소 결합 수용자 수
12
회전 가능 결합 수
11
무거운 원자 수
44

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4건

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