기본 정보
- 표준 SMILES
Cc1ccc(S(=O)(=O)O)cc1.Cn1cc(-c2ccc(F)c(C(F)(F)F)c2)nc1C1CCN(c2ncnc3[nH]ncc23)CC1- InChIKey
HDYUXDNMHBQKAU-UHFFFAOYSA-N- 분자식
- C28H27F4N7O3S
- 평균 분자량
- 617.6 g/mol
이름 및 식별자
- 우선 이름
- LY-2584702 (tosylate salt)
- IUPAC
- 4-[4-[4-[4-fluoro-3-(trifluoromethyl)phenyl]-1-methylimidazol-2-yl]piperidin-1-yl]-1H-pyrazolo[5,4-d]pyrimidine;4-methylbenzenesulfonic acid
이름 및 동의어
1082949-68-5LY2584702 tosylateLY-2584702 (tosylate salt)LY-2584702 tosylate salt4-(4-(4-(4-fluoro-3-(trifluoromethyl)phenyl)-1-methyl-1H-imidazol-2-yl)piperidin-1-yl)-1H-pyrazolo[3,4-d]pyrimidine 4-methylbenzenesulfonateLYS6K2 tosylateLY 2584702 tosylate4-[4-[4-[4-fluoro-3-(trifluoromethyl)phenyl]-1-methylimidazol-2-yl]piperidin-1-yl]-1H-pyrazolo[3,4-d]pyrimidine;4-methylbenzenesulfonic acid4-{4-[4-(4-fluoro-3-trifluoromethyl-phenyl)-1-methyl-1H-imidazol-2-yl]-piperidin-1-yl}-1H-pyrazolo[3,4-d]pyrimidine p-toluenesulfonate1H-Pyrazolo[3,4-d]pyrimidine, 4-[4-[4-[4-fluoro-3-(trifluoromethyl)phenyl]-1-methyl-1H-imidazol-2-yl]-1-piperidinyl]-, 4-methylbenzenesulfonate (1:1);LY2584702MFCD290547394-{4-[4-fluoro-3-(trifluoromethyl)phenyl]-1-methyl-1H-imidazol-2-yl}-1-{1H-pyrazolo[3,4-d]pyrimidin-4-yl}piperidine 4-methylbenzene-1-sulfonate
이름 더 보기
LYS6K2LY2584702 tosylate saltSCHEMBL311653LY-2584702 free base?orb1227020orb1307552C28H27F4N7O3SCHEMBL3911801
데이터베이스 식별자
- PubChem CID
- 46205871
- ChEMBL
CHEMBL3911801
물성
구조 계산 물성
- 극성 표면적
- 138 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 12
- 회전 가능 결합 수
- 4
- 무거운 원자 수
- 43
- 형식 전하
- 0
- 복잡도
- 850
관련 반응
3건
화합물 노트
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