기본 정보
- 표준 SMILES
COc1cnc(-n2cc(C)nn2)c2[nH]cc(C(=O)C(=O)N3CCC(=C(c4ccccc4)c4nnc(C)o4)CC3)c12- InChIKey
HZWIULQZEVUTNU-UHFFFAOYSA-N- 분자식
- C28H26N8O4
- 평균 분자량
- 538.6 g/mol
이름 및 식별자
- 우선 이름
- 1-[4-methoxy-7-(4-methyltriazol-1-yl)-1H-pyrrolo[2,3-c]pyridin-3-yl]-2-[4-[(5-methyl-1,3,4-oxadiazol-2-yl)-phenyl-methylene]-1-piperidyl]ethane-1,2-dione
- IUPAC
- 1-[4-methoxy-7-(4-methyltriazol-1-yl)-1H-pyrrolo[2,3-c]pyridin-3-yl]-2-[4-[(5-methyl-1,3,4-oxadiazol-2-yl)-phenylmethylidene]piperidin-1-yl]ethane-1,2-dione
이름 및 동의어
SCHEMBL1473210HZWIULQZEVUTNU-UHFFFAOYSA-N1-[4-(1-Phenyl-1-(5-methyl-1,3,4-oxadiazol-2-yl)-methylene)-piperidin-1-yl]-2-(4-methoxy-7-(4-methyl-1,2,3-triazol-1-yl)-6-azaindol-3-yl)-ethane-1,2-dione1-[4-methoxy-7-(4-methyltriazol-1-yl)-1H-pyrrolo[2,3-c]pyridin-3-yl]-2-[4-[(5-methyl-1,3,4-oxadiazol-2-yl)-phenyl-methylene]-1-piperidyl]ethane-1,2-dionePiperidine, 1-[2-[4-methoxy-7-(4-methyl-1H-1,2,3-triazol-1-yl)-1H-pyrrolo[2,3-c]pyridin-3-yl]-1,2-dioxoethyl]-4-[(5-methyl-1,3,4-oxadiazol-2-yl)phenylmethylene]-
데이터베이스 식별자
- PubChem CID
- 5279945
물성
구조 계산 물성
- XLogP
- 2.9
- 극성 표면적
- 145 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 9
- 회전 가능 결합 수
- 6
- 무거운 원자 수
- 40
- 형식 전하
- 0
- 복잡도
- 964
관련 반응
3건
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