Racemic cis-1-(6-(5-(2,6-difluorophenyl)-1H-indazol-3-yl)-2-pyrazinyl)-3,4-piperidinediol 1-(6-(5-(2,6-difluorophenyl)-1-(tetrahydro-2H-pyran-2-yl)-1H-indazol-3-yl)pyrazin-2-yl)piperidine-3,4-diol
기본 정보
- 표준 SMILES
OC1CCN(c2cncc(-c3nn(C4CCCCO4)c4ccc(-c5c(F)cccc5F)cc34)n2)CC1O.O[C@@H]1CN(c2cncc(-c3n[nH]c4ccc(-c5c(F)cccc5F)cc34)n2)CC[C@@H]1O- InChIKey
XBNQAEKLWRHXOB-VPCIVWMESA-N- 분자식
- C49H46F4N10O5
- 평균 분자량
- 930.9 g/mol
이름 및 식별자
- 우선 이름
- Racemic cis-1-(6-(5-(2,6-difluorophenyl)-1H-indazol-3-yl)-2-pyrazinyl)-3,4-piperidinediol 1-(6-(5-(2,6-difluorophenyl)-1-(tetrahydro-2H-pyran-2-yl)-1H-indazol-3-yl)pyrazin-2-yl)piperidine-3,4-diol
- IUPAC
- (3R,4S)-1-[6-[5-(2,6-difluorophenyl)-1H-indazol-3-yl]pyrazin-2-yl]piperidine-3,4-diol;1-[6-[5-(2,6-difluorophenyl)-1-(oxan-2-yl)indazol-3-yl]pyrazin-2-yl]piperidine-3,4-diol
이름 및 동의어
SCHEMBL9904595XBNQAEKLWRHXOB-VPCIVWMESA-NRacemic cis-1-(6-(5-(2,6-difluorophenyl)-1H-indazol-3-yl)-2-pyrazinyl)-3,4-piperidinediol 1-(6-(5-(2,6-difluorophenyl)-1-(tetrahydro-2H-pyran-2-yl)-1H-indazol-3-yl)pyrazin-2-yl)piperidine-3,4-diol
데이터베이스 식별자
- PubChem CID
- 88532872
물성
구조 계산 물성
- 극성 표면적
- 195 Ų
- 수소 결합 공여자 수
- 5
- 수소 결합 수용자 수
- 17
- 회전 가능 결합 수
- 7
- 무거운 원자 수
- 68
- 형식 전하
- 0
- 복잡도
- 1,370
관련 반응
1건
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