2-[6-chloro-1-(2,2-dimethyl-[1,3]dioxolan-4-ylmethyl)-1H-indazol-3-yl]-5-(2-trimethylsilanyl-ethoxymethyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxylic acid [(R)-2-(3-cyano-azetidin-1-yl)-1-methyl-2-oxo-ethyl]-amide

HCID 71288913
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기본 정보

표준 SMILES
C[C@@H](NC(=O)c1cn(COCC[Si](C)(C)C)c2ncc(-c3nn(CC4COC(C)(C)O4)c4cc(Cl)ccc34)nc12)C(=O)N1CC(C#N)C1
InChIKey
KQTLKCVWHUJOER-PPUHSXQSSA-N
분자식
C33H41ClN8O5Si
평균 분자량
693.3 g/mol

이름 및 식별자

우선 이름
2-[6-chloro-1-(2,2-dimethyl-[1,3]dioxolan-4-ylmethyl)-1H-indazol-3-yl]-5-(2-trimethylsilanyl-ethoxymethyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxylic acid [(R)-2-(3-cyano-azetidin-1-yl)-1-methyl-2-oxo-ethyl]-amide
IUPAC
2-[6-chloro-1-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]indazol-3-yl]-N-[(2R)-1-(3-cyanoazetidin-1-yl)-1-oxopropan-2-yl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide

이름 및 동의어

SCHEMBL14752173KQTLKCVWHUJOER-PPUHSXQSSA-N2-[6-chloro-1-(2,2-dimethyl-[1,3]dioxolan-4-ylmethyl)-1H-indazol-3-yl]-5-(2-trimethylsilanyl-ethoxymethyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxylic acid [(R)-2-(3-cyano-azetidin-1-yl)-1-methyl-2-oxo-ethyl]-amide

데이터베이스 식별자

PubChem CID
71288913

물성

구조 계산 물성

극성 표면적
149 Ų
수소 결합 공여자 수
1
수소 결합 수용자 수
9
회전 가능 결합 수
11
무거운 원자 수
48

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