기본 정보
- 표준 SMILES
c1ccc(Cn2ncc3cc(Nc4ncnc5cnc(-c6ccc(C7OCCO7)o6)cc45)ccc32)cc1- InChIKey
GIZAHSJRRRUFEE-UHFFFAOYSA-N- 분자식
- C28H22N6O3
- 평균 분자량
- 490.5 g/mol
이름 및 식별자
- 우선 이름
- (1-Benzyl-1H-indazol-5-yl)-(6-(5-[1,3-dioxolan-2-yl]-furan-2-yl)-pyrido[3,4-d]pyrimidin-4-yl)-amine
- IUPAC
- N-(1-benzylindazol-5-yl)-6-[5-(1,3-dioxolan-2-yl)furan-2-yl]pyrido[3,4-d]pyrimidin-4-amine
이름 및 동의어
SCHEMBL3321224GIZAHSJRRRUFEE-UHFFFAOYSA-N(1-Benzyl-1-H-indazol-5-yl)-(6-(5-[1,3-dioxolan-2-yl]-furan-2-yl)-pyrido[3,4-d]-pyrimidin-4-yl)-amine(1-Benzyl-1H-indazol-5-yl)-(6-(5-[1,3-dioxolan-2-yl]-furan-2-yl)-pyrido[3,4-d]-pyrimidin-4-yl)-amine(1-Benzyl-1H-indazol-5-yl)-(6-(5-[1,3-dioxolan-2-yl]-furan-2-yl)-pyrido[3,4-d]pyrimidin-4-yl)-amine(1-Benzyl-1H-indazol-5-yl)-(6-(5-[1,3-dioxolan-2-yl]-furan-2-yl)-pyrido[3.4-d]-pyrimidin-4-yl)-amine(1-Benzyl-1H-indazol-5-yl)-(6-(5-[1,3-dioxolanyl]-furan-2-yl)-pyrido[3,4-d]-pyrimidin-4-yl)-amine(1-Benzyl-1H-indazol-5-yl)-(6-(5-[1.3-dioxolan-2-yl]-furan-2-yl)-pyrido[3,4-d]-pyrimidin-4-yl)-amine
데이터베이스 식별자
- PubChem CID
- 21951893
물성
구조 계산 물성
- XLogP
- 3.8
- 극성 표면적
- 100 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 8
- 회전 가능 결합 수
- 6
- 무거운 원자 수
- 37
- 형식 전하
- 0
- 복잡도
- 749
관련 반응
11건
화합물 노트
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