1h-Pyrrolo[2,3-c]pyridine-5-carboxamide,1-[(4-fluorophenyl)methyl]-n-hydroxy-n-methyl-3-[(3-oxo-1-piperazinyl)methyl]-
기본 정보
- 표준 SMILES
CN(O)C(=O)c1cc2c(CN3CCNC(=O)C3)cn(Cc3ccc(F)cc3)c2cn1- InChIKey
YTWDEGGJCJTNOH-UHFFFAOYSA-N- 분자식
- C21H22FN5O3
- 평균 분자량
- 411.4 g/mol
이름 및 식별자
- 우선 이름
- 1h-Pyrrolo[2,3-c]pyridine-5-carboxamide,1-[(4-fluorophenyl)methyl]-n-hydroxy-n-methyl-3-[(3-oxo-1-piperazinyl)methyl]-
- IUPAC
- 1-[(4-fluorophenyl)methyl]-N-hydroxy-N-methyl-3-[(3-oxopiperazin-1-yl)methyl]pyrrolo[2,3-c]pyridine-5-carboxamide
이름 및 동의어
1h-pyrrolo[2,3-c]pyridine-5-carboxamide,1-[(4-fluorophenyl)methyl]-n-hydroxy-n-methyl-3-[(3-oxo-1-piperazinyl)methyl]-868551-15-9SCHEMBL4800116CHEMBL1289200YTWDEGGJCJTNOH-UHFFFAOYSA-N1-(4-fluorobenzyl)-N-hydroxy-N-methyl-3-((3-oxopiperazin-1-yl)methyl)-1H-pyrrolo[2,3-c]pyridine-5-carboxamide1-[(4-fluorophenyl)methyl]-N-hydroxy-N-methyl-3-[(3-oxopiperazin-1-yl)methyl]pyrrolo[2,3-c]pyridine-5-carboxamide1H-Pyrrolo[2,3-c]pyridine-5-carboxamide, 1-[(4-fluorophenyl)methyl]-N-hydroxy-N-methyl-3-[(3-oxopiperazin-1-yl)methyl]-
데이터베이스 식별자
- PubChem CID
- 11683012
- ChEMBL
CHEMBL1289200
물성
구조 계산 물성
- XLogP
- 0.9
- 극성 표면적
- 90.7 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 6
- 회전 가능 결합 수
- 5
- 무거운 원자 수
- 30
- 형식 전하
- 0
- 복잡도
- 630
관련 반응
2건
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