4-(4-chlorophenyl)-5-(1,5-dimethyl-6-oxo-1,6-dihydropyridin-3-yl)-3-ethyl-1-(1-methyl-1H-pyrazol-5-yl)-4,5-dihydropyrrolo-[3,4-c]pyrazol-6(1H)-one
기본 정보
- 표준 SMILES
CCc1nn(-c2ccnn2C)c2c1C(c1ccc(Cl)cc1)N(c1cc(C)c(=O)n(C)c1)C2=O- InChIKey
YNMSRPUOAQPYLV-UHFFFAOYSA-N- 분자식
- C24H23ClN6O2
- 평균 분자량
- 462.9 g/mol
이름 및 식별자
- 우선 이름
- 4-(4-chlorophenyl)-5-(1,5-dimethyl-6-oxo-1,6-dihydropyridin-3-yl)-3-ethyl-1-(1-methyl-1H-pyrazol-5-yl)-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-methylpyrazol-3-yl)-4H-pyrrolo[3,4-d]pyrazol-6-one
이름 및 동의어
CHEMBL3650936SCHEMBL16244200YNMSRPUOAQPYLV-UHFFFAOYSA-NBDBM150031US8975417, 894-(4-chlorophenyl)-5-(1,5-dimethyl-6-oxo-1,6-dihydropyridin-3-yl)-3-ethyl-1-(1-methyl-1H-pyrazol-5-yl)-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-(1-methyl-1H-pyrazol-5-yl)-4,5-dihydropyrrolo[3,4-c]pyrazol-6(1H)-one
데이터베이스 식별자
- PubChem CID
- 86293538
- ChEMBL
CHEMBL3650936
물성
구조 계산 물성
- XLogP
- 3.2
- 극성 표면적
- 76.3 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 4
- 회전 가능 결합 수
- 4
- 무거운 원자 수
- 33
- 형식 전하
- 0
- 복잡도
- 869
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