기본 정보
- 표준 SMILES
CC(C)OC(=O)N1CCC(Oc2ncnc3c2CCN3c2ccc(S(C)(=O)=O)cc2F)CC1- InChIKey
HCCOWIAORWVUEZ-UHFFFAOYSA-N- 분자식
- C22H27FN4O5S
- 평균 분자량
- 478.5 g/mol
개요
structure in first source
이름 및 식별자
- 우선 이름
- 1-Methylethyl 4-((7-(2-Fluoro-4-(methylsulfonyl)phenyl)-6,7-dihydro-5H-pyrrolo(2,3-d)pyrimidin-4-yl)oxy)-1-piperidinecarboxylate
- IUPAC
- propan-2-yl 4-[[7-(2-fluoro-4-methylsulfonylphenyl)-5,6-dihydropyrrolo[2,3-d]pyrimidin-4-yl]oxy]piperidine-1-carboxylate
이름 및 동의어
GSK1104252A1-Methylethyl 4-({7-[2-fluoro-4-(methylsulfonyl)phenyl]-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl}oxy)-1-piperidinecarboxylate1-Methylethyl 4-((7-(2-Fluoro-4-(methylsulfonyl)phenyl)-6,7-dihydro-5H-pyrrolo(2,3-d)pyrimidin-4-yl)oxy)-1-piperidinecarboxylateRefChem:9077001001397-20-1CHEMBL2177777propan-2-yl 4-[[7-(2-fluoro-4-methylsulfonylphenyl)-5,6-dihydropyrrolo[2,3-d]pyrimidin-4-yl]oxy]piperidine-1-carboxylateorb1700486SCHEMBL4491635GLXC-07658BDBM50400413AKOS040748455
이름 더 보기
HY-18354DB-129970CS-0007480T27447isopropyl 4-(7-(2-fluoro-4-(methylsulfonyl)phenyl)-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yloxy)piperidine-1-carboxylate
데이터베이스 식별자
- PubChem CID
- 23653563
- ChEMBL
CHEMBL2177777
물성
구조 계산 물성
- XLogP
- 3.1
- 극성 표면적
- 110 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 9
- 회전 가능 결합 수
- 6
- 무거운 원자 수
- 33
- 형식 전하
- 0
- 복잡도
- 786
실험 및 물리화학적 성질
LogP3.4
관련 반응
2건
화합물 노트
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