기본 정보
- 표준 SMILES
CN1Cc2ccc(Nc3nc(-c4cc(F)cc(C5NCCc6c5sc5c6CC(C)(C)C5)c4CO)cn(C)c3=O)cc2C1- InChIKey
QJZJUXIVVYWKPF-UHFFFAOYSA-N- 분자식
- C33H36FN5O2S
- 평균 분자량
- 585.7 g/mol
이름 및 식별자
- 우선 이름
- 5-(5-Fluoro-2-(hydroxymethyl)-3-(6,6-dimethyl-3,4,6,7-tetrahydro-5H-cyclopenta[4,5]thieno[2,3-c]pyridine-1 (2H)-yl)phenyl)-1-methyl-3-(2-methylisoindolin-5-ylamino)pyrazin-2(1H)-one
- IUPAC
- 5-[3-(4,4-dimethyl-7-thia-10-azatricyclo[6.4.0.02,6]dodeca-1(8),2(6)-dien-9-yl)-5-fluoro-2-(hydroxymethyl)phenyl]-1-methyl-3-[(2-methyl-1,3-dihydroisoindol-5-yl)amino]pyrazin-2-one
이름 및 동의어
SCHEMBL1393582QJZJUXIVVYWKPF-UHFFFAOYSA-N5-(5-Fluoro-2-(hydroxymethyl)-3-(6,6-dimethyl-3,4,6,7-tetrahydro-5H-cyclopenta[4,5]thieno[2,3-c]pyridine-1 (2H)-yl)phenyl)-1-methyl-3-(2-methylisoindolin-5-ylamino)pyrazin-2(1H)-one5-(5-Fluoro-2-(hydroxymethyl)-3-(6,6-dimethyl-3,4,6,7-tetrahydro-5H-cyclopenta[4,5]thieno[2,3-c]pyridine-1(2H)-yl)phenyl)-1-methyl-3-(2-methylisoindolin-5-ylamino)pyrazin-2(1H)-one
데이터베이스 식별자
- PubChem CID
- 67016377
물성
구조 계산 물성
- XLogP
- 3.4
- 극성 표면적
- 108 Ų
- 수소 결합 공여자 수
- 3
- 수소 결합 수용자 수
- 7
- 회전 가능 결합 수
- 5
- 무거운 원자 수
- 42
- 형식 전하
- 0
- 복잡도
- 1,120
관련 반응
1건
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