기본 정보
- 표준 SMILES
CN1CCN(c2ccc(Nc3cc(B4OC(C)(C)C(C)(C)O4)cn(C)c3=O)nc2)CC1- InChIKey
KJMUUSJOPAKDQL-UHFFFAOYSA-N- 분자식
- C22H32BN5O3
- 평균 분자량
- 425.3 g/mol
이름 및 식별자
- 우선 이름
- 1-methyl-3-((5-(4-methylpiperazin-1-yl)pyridin-2-yl)amino)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2(1H)-one
- IUPAC
- 1-methyl-3-[[5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-one
이름 및 동의어
1242156-62-21-methyl-3-((5-(4-methylpiperazin-1-yl)pyridin-2-yl)amino)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2(1H)-one1-methyl-3-[[5-(4-methylpiperazin-1-yl)pyridin-2-yl]amino]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-one2(1H)-Pyridinone, 1-methyl-3-[[5-(4-methyl-1-piperazinyl)-2-pyridinyl]amino]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-starbld0018569SCHEMBL1725566SCHEMBL29741963C22H32BN5O3KJMUUSJOPAKDQL-UHFFFAOYSA-NCS-M3137MFCD28992274AKOS027421152
이름 더 보기
1-methyl-3-[5-(4-methyl-piperazin-1-yl)-pyridin-2-ylamino]-5-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)-1H-pyridin-2-oneCS-14901DA-46807(1-Methyl-5-((5-(4-methylpiperazin-1-yl)pyridin-2-yl)amino)-6-oxo-1,6-dihydropyridin-3-yl)boronic acid pinacol ester, 97%1-methyl-3-[[5-(4-methylpiperazin-1-yl)-2-pyridyl]amino]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-one1-methyl-3-[5-(4-methyl-piperazin-1-yl)-pyridin-2-ylamino]-5-(4,4,5,5-tetramethyl-[1,3,2]dioxa-borolan-2-yl)-1H-pyridin-2-one
데이터베이스 식별자
- PubChem CID
- 58043764
물성
구조 계산 물성
- 극성 표면적
- 70.2 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 7
- 회전 가능 결합 수
- 4
- 무거운 원자 수
- 31
- 형식 전하
- 0
- 복잡도
- 744
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