di-tert-butyl{4-chloro-3-(2-hydroxyethyl)-1-[(4-methoxy-3,5-dimethylpyridin-2-yl)methyl]-1H-pyrazolo[3,4-d]pyrimidin-6-yl}imidodicarbonate

HCID 59311523

기본 정보

표준 SMILES
COc1c(C)cnc(Cn2nc(CCO)c3c(Cl)nc(N(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)nc32)c1C
InChIKey
SKUCELNPEPBKCJ-UHFFFAOYSA-N
분자식
C26H35ClN6O6
평균 분자량
563 g/mol

이름 및 식별자

우선 이름
di-tert-butyl{4-chloro-3-(2-hydroxyethyl)-1-[(4-methoxy-3,5-dimethylpyridin-2-yl)methyl]-1H-pyrazolo[3,4-d]pyrimidin-6-yl}imidodicarbonate
IUPAC
tert-butyl N-[4-chloro-3-(2-hydroxyethyl)-1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]pyrazolo[5,4-d]pyrimidin-6-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate

이름 및 동의어

SCHEMBL2111543SKUCELNPEPBKCJ-UHFFFAOYSA-NDi-tert-butyl {4-chloro-3-(2-hydroxyethyl)-1-[(4-methoxy-3,5-dimethylpyridin-2-yl)methyl]-1H-pyrazolo[3,4-d]pyrimidin-6-yl}imidodicarbonatedi-tert-butyl{4-chloro-3-(2-hydroxyethyl)-1-[(4-methoxy-3,5-dimethylpyridin-2-yl)methyl]-1H-pyrazolo[3,4-d]pyrimidin-6-yl}imidodicarbonate

데이터베이스 식별자

PubChem CID
59311523

물성

구조 계산 물성

XLogP
4.3
극성 표면적
142 Ų
수소 결합 공여자 수
1
수소 결합 수용자 수
10
회전 가능 결합 수
10
무거운 원자 수
39

관련 반응

4건

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