4-(4-chlorophenyl)-5-(1,5-dimethyl-6-oxo-1,6-dihydropyridin-3-yl)-3-ethyl-1-(2-hydroxyethyl)-4,5-dihydropyrrolo-[3,4-c]pyrazol-6(1H)-one
기본 정보
- 표준 SMILES
CCc1nn(CCO)c2c1C(c1ccc(Cl)cc1)N(c1cc(C)c(=O)n(C)c1)C2=O- InChIKey
YDIQBHXHQQZJQQ-UHFFFAOYSA-N- 분자식
- C22H23ClN4O3
- 평균 분자량
- 426.9 g/mol
- 단동위원소 질량
- 426.1458683
이름 및 식별자
- 우선 이름
- 4-(4-chlorophenyl)-5-(1,5-dimethyl-6-oxo-1,6-dihydropyridin-3-yl)-3-ethyl-1-(2-hydroxyethyl)-4,5-dihydropyrrolo-[3,4-c]pyrazol-6(1H)-one
- IUPAC
- 4-(4-chlorophenyl)-5-(1,5-dimethyl-6-oxo-3-pyridinyl)-3-ethyl-1-(2-hydroxyethyl)-4H-pyrrolo[3,4-d]pyrazol-6-one
이름 및 동의어
CHEMBL3650926SCHEMBL16244600YDIQBHXHQQZJQQ-UHFFFAOYSA-NBDBM150021US8975417, 784-(4-chlorophenyl)-5-(1,5-dimethyl-6-oxo-1,6-dihydropyridin-3-yl)-3-ethyl-1-(2-hydroxyethyl)-4,5-dihydropyrrolo-[3,4-c]pyrazol-6(1H)-one4-(4-chlorophenyl)-5-(1,5-dimethyl-6-oxo-1,6-dihydropyridin-3-yl)-3-ethyl-1-(2-hydroxyethyl)-4,5-dihydropyrrolo[3,4-c]pyrazol-6(1H)-one
데이터베이스 식별자
- PubChem CID
- 91826317
- ChEMBL
CHEMBL3650926
물성
구조 계산 물성
- XLogP
- 2.1
- 극성 표면적
- 78.7 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 4
- 회전 가능 결합 수
- 5
- 무거운 원자 수
- 30
- 형식 전하
- 0
- 복잡도
- 761
관련 반응
1건
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