N-[(4,6-dimethyl-2-oxo-1,2-dihydro-3-pyridinyl)methyl]-1-(1-methylethyl)-6-[6-(1-piperazinyl)-3-pyridinyl]-1H-indazole-4-carboxamide

HCID 54596558
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기본 정보

표준 SMILES
Cc1cc(C)c(CNC(=O)c2cc(-c3ccc(N4CCNCC4)nc3)cc3c2cnn3C(C)C)c(=O)[nH]1
InChIKey
VYFBRDJIRRTWMS-UHFFFAOYSA-N
분자식
C28H33N7O2
평균 분자량
499.6 g/mol
단동위원소 질량
499.26957332

이름 및 식별자

우선 이름
N-[(4,6-dimethyl-2-oxo-1,2-dihydro-3-pyridinyl)methyl]-1-(1-methylethyl)-6-[6-(1-piperazinyl)-3-pyridinyl]-1H-indazole-4-carboxamide
IUPAC
N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-(6-piperazin-1-yl-3-pyridinyl)-1-propan-2-ylindazole-4-carboxamide

이름 및 동의어

CHEMBL5179558SCHEMBL12180851VYFBRDJIRRTWMS-UHFFFAOYSA-NBRD-K42260513N-((4,6-dimethyl-2-oxo-1,2-dihydropyridin-3-yl)methyl)-1-isopropyl-6-(6-(piperazin-1-yl)pyridin-3-yl)-1H-indazole-4-carboxamideN-[(4,6-dimethyl-2-oxo-1,2-dihydro-3-pyridinyl)methyl]-1-(1-methylethyl)-6-[6-(1-piperazinyl)-3-pyridinyl]-1H-indazole-4-carboxamide

데이터베이스 식별자

PubChem CID
54596558
ChEMBL
CHEMBL5179558

물성

구조 계산 물성

XLogP
2.5
극성 표면적
104 Ų
수소 결합 공여자 수
3
수소 결합 수용자 수
6
회전 가능 결합 수
6
무거운 원자 수
37

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