기본 정보
- 표준 SMILES
Cc1ccc(C(=O)Nc2ccc(CN3CCN(C)CC3)c(C(F)(F)F)c2)cc1C#Cc1cnc2cnccn12- InChIKey
LUGNORFTBOIQFV-UHFFFAOYSA-N- 분자식
- C29H27F3N6O
- 평균 분자량
- 532.6 g/mol
- 단동위원소 질량
- 532.21984399
이름 및 식별자
- 우선 이름
- 3-(Imidazo[1,2-a]pyrazin-3-ylethynyl)-4-methyl-N-(4-((4-methylpiperazin-1-yl)methyl)-3-(trifluoromethyl)phenyl)benzamide
- IUPAC
- 3-(2-imidazo[1,2-a]pyrazin-3-ylethynyl)-4-methyl-N-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]benzamide
이름 및 동의어
CHEMBL11718363-(Imidazo[1,2-a]pyrazin-3-ylethynyl)-4-methyl-N-(4-((4-methylpiperazin-1-yl)methyl)-3-(trifluoromethyl)phenyl)benzamide3-(2-{imidazo[1,2-a]pyrazin-3-yl}ethynyl)-4-methyl-N-{4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl}benzamide3-[2-(Imidazo[1,2-a]pyrazin-3-yl)ethynyl]-4-methyl-N-{4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl}benzamide943319-55-9SCHEMBL589660SCHEMBL31620722BDBM50322561EBC-117021EN300-7563261
데이터베이스 식별자
- PubChem CID
- 24826558
- ChEMBL
CHEMBL1171836
물성
구조 계산 물성
- XLogP
- 4.5
- 극성 표면적
- 65.8 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 8
- 회전 가능 결합 수
- 6
- 무거운 원자 수
- 39
- 형식 전하
- 0
- 복잡도
- 910
관련 반응
14건
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