1-(4-methoxy-7-(3-methyl-1H-1,2,4-triazol-1-yl)-1H-pyrrolo[2,3-c]pyridin-3-yl)-2-(5-phenyl-3,4-dihydroisoquinolin-2(1H)-yl)ethane-1,2-dione
기본 정보
- 표준 SMILES
COc1cnc(-n2cnc(C)n2)c2[nH]cc(C(=O)C(=O)N3CCc4c(cccc4-c4ccccc4)C3)c12- InChIKey
SMYPJAMVIWPAAU-UHFFFAOYSA-N- 분자식
- C28H24N6O3
- 평균 분자량
- 492.5 g/mol
- 단동위원소 질량
- 492.19098865
이름 및 식별자
- 우선 이름
- 1-(4-methoxy-7-(3-methyl-1H-1,2,4-triazol-1-yl)-1H-pyrrolo[2,3-c]pyridin-3-yl)-2-(5-phenyl-3,4-dihydroisoquinolin-2(1H)-yl)ethane-1,2-dione
- IUPAC
- 1-[4-methoxy-7-(3-methyl-1,2,4-triazol-1-yl)-1H-pyrrolo[2,3-c]pyridin-3-yl]-2-(5-phenyl-3,4-dihydro-1H-isoquinolin-2-yl)ethane-1,2-dione
이름 및 동의어
1-(4-methoxy-7-(3-methyl-1H-1,2,4-triazol-1-yl)-1H-pyrrolo[2,3-c]pyridin-3-yl)-2-(5-phenyl-3,4-dihydroisoquinolin-2(1H)-yl)ethane-1,2-dioneSCHEMBL1549797CHEMBL3745996SMYPJAMVIWPAAU-UHFFFAOYSA-N1-(4-methoxy-7-(3-methyl-1H-1,2,4-triazol-1-yl)-1H-pyrrolo[2,3-c]pyridin-3-yl)-2-(5-phenyl-3,4-dihydroisoquinolin-2( 1H)-yl)ethane-1,2-dione1-[4-methoxy-7-(3-methyl-1,2,4-triazol-1-yl)-1H-pyrrolo[2,3-c]pyridin-3-yl]-2-(5-phenyl-3,4-dihydro-1H-isoquinolin-2-yl)ethane-1,2-dione
데이터베이스 식별자
- PubChem CID
- 44540013
- ChEMBL
CHEMBL3745996
물성
구조 계산 물성
- XLogP
- 3.9
- 극성 표면적
- 106 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 6
- 회전 가능 결합 수
- 5
- 무거운 원자 수
- 37
- 형식 전하
- 0
- 복잡도
- 837
관련 반응
2건
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