기본 정보
- 표준 SMILES
COC[C@H](C1CC1)n1cc(C#N)nc(Nc2cc(C)c(OC(F)F)nc2C)c1=O- InChIKey
PJMUNXORSUNUCV-OAHLLOKOSA-N- 분자식
- C19H21F2N5O3
- 평균 분자량
- 405.4 g/mol
이름 및 식별자
- 우선 이름
- 2-Pyrazinecarbonitrile,4-[(1S)-1-cyclopropyl-2-methoxyethyl]-6-[[6-(difluoromethoxy)-2,5-dimethyl-3-pyridinyl]amino]-4,5-dihydro-5-oxo-
- IUPAC
- 4-[(1S)-1-cyclopropyl-2-methoxyethyl]-6-[[6-(difluoromethoxy)-2,5-dimethyl-3-pyridinyl]amino]-5-oxopyrazine-2-carbonitrile
이름 및 동의어
1188407-45-5BMS-7644592-Pyrazinecarbonitrile,4-[(1S)-1-cyclopropyl-2-methoxyethyl]-6-[[6-(difluoromethoxy)-2,5-dimethyl-3-pyridinyl]amino]-4,5-dihydro-5-oxo-4-[(1S)-1-cyclopropyl-2-methoxyethyl]-6-[[6-(difluoromethoxy)-2,5-dimethylpyridin-3-yl]amino]-5-oxopyrazine-2-carbonitrile2-Pyrazinecarbonitrile, 4-[(1S)-1-cyclopropyl-2-methoxyethyl]-6-[[6-(difluoromethoxy)-2,5-dimethyl-3-pyridinyl]amino]-4,5-dihydro-5-oxo-orb1701001SCHEMBL1558137AKOS040748013DA-51248HY-14225CS-0002939T26856
이름 더 보기
BMS-764459, >=98% (HPLC)(S)-4-(1-cyclopropyl-2-methoxyethyl)-6-((6-(difluoromethoxy)-2,5-dimethylpyridin-3-yl)amino)-5-oxo-4,5-dihydropyrazine-2-carbonitrile
데이터베이스 식별자
- PubChem CID
- 44160264
- Nikkaji
- J3.130.585C
물성
구조 계산 물성
- XLogP
- 2.4
- 극성 표면적
- 99.8 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 8
- 회전 가능 결합 수
- 8
- 무거운 원자 수
- 29
- 형식 전하
- 0
- 복잡도
- 731
관련 반응
2건
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