2-[1-(1-tert-butoxycarbonyl-piperidin-4-yl)-6-fluoro-1H-indazol-3-yl]-5-(2-trimethylsilanyl-ethoxymethyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxylic acid (HCID 71280255)

기본 정보

표준 SMILES: CC(C)(C)OC(=O)N1CCC(n2nc(-c3cnc4c(n3)c(C(=O)O)cn4COCC[Si](C)(C)C)c3ccc(F)cc32)CC1
InChIKey: PBLUGRLFCDMDOV-UHFFFAOYSA-N
분자식: C30H39FN6O5Si
평균 분자량: 610.8 g/mol
단동위원소 질량: 610.27352306

이름 및 식별자

우선 이름: 2-[1-(1-tert-butoxycarbonyl-piperidin-4-yl)-6-fluoro-1H-indazol-3-yl]-5-(2-trimethylsilanyl-ethoxymethyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxylic acid
IUPAC: 2-[6-fluoro-1-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]indazol-3-yl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxylic acid

이름 및 동의어

SCHEMBL14738176PBLUGRLFCDMDOV-UHFFFAOYSA-N2-[1-(1-tert-butoxycarbonyl-piperidin-4-yl)-6-fluoro-1H-indazol-3-yl]-5-(2-trimethylsilanyl-ethoxymethyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxylic acid2-[1-(1-tertbutoxycarbonyl-piperidin-4-yl)-6-fluoro-1H-indazol-3-yl]-5-(2-trimethylsilanyl-ethoxymethyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxylic acid

데이터베이스 식별자

PubChem CID: 71280255

물성

구조 계산 물성

극성 표면적: 125 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 9
회전 가능 결합 수: 10
무거운 원자 수: 43
형식 전하: 0
복잡도: 989

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