기본 정보
- 표준 SMILES
COc1ccc(CNc2nccc3c2c(C)nn3C(C)c2cc(Cl)c(C)c(-c3ccc(C(=O)N(C)C)nc3)c2OC)c(OC)c1- InChIKey
NRSKLKYLEONIHO-UHFFFAOYSA-N- 분자식
- C34H37ClN6O4
- 평균 분자량
- 629.1 g/mol
이름 및 식별자
- 우선 이름
- 5-[3-Chloro-5-(1-{4-[(2,4-dimethoxybenzyl)amino]-3-methyl-1H-pyrazolo[4,3-c]pyridin-1-yl}ethyl)-6-methoxy-2-methylphenyl]-N,N-dimethylpyridine-2-carboxamide
- IUPAC
- 5-[5-chloro-3-[1-[4-[(2,4-dimethoxyphenyl)methylamino]-3-methylpyrazolo[4,5-c]pyridin-1-yl]ethyl]-2-methoxy-6-methylphenyl]-N,N-dimethylpyridine-2-carboxamide
이름 및 동의어
SCHEMBL14736750NRSKLKYLEONIHO-UHFFFAOYSA-N5-[3-chloro-5-(1-{4-[(2,4-dimethoxybenzyl)-amino]-3-methyl-1H-pyrazolo[4,3-c]pyridin-1-yl}ethyl)-6-methoxy-2-methylphenyl]-N,N-dimethylpyridine-2-carboxamide5-[3-Chloro-5-(1-{4-[(2,4-dimethoxybenzyl)amino]-3-methyl-1H-pyrazolo[4,3-c]pyridin-1-yl}ethyl)-6-methoxy-2-methylphenyl]-N,N-dimethylpyridine-2-carboxamide
데이터베이스 식별자
- PubChem CID
- 86677665
물성
구조 계산 물성
- XLogP
- 6
- 극성 표면적
- 104 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 8
- 회전 가능 결합 수
- 10
- 무거운 원자 수
- 45
- 형식 전하
- 0
- 복잡도
- 964
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