1H-Pyrazolo[3,4-b]Pyridin-3(2H)-One 1H-吡唑并[3,4-b]吡啶-3(2H)-酮

CAS 2942-43-0 MFCD03013435

化学结构图

2942-43-0
SMILES: O=c1[nH][nH]c2ncccc12

化学属性

Mol. FormulaC6H5N3O
Mol. Weight135.12
Melting Point234-236°C

别名和识别编码

Chemical Name1H-Pyrazolo[3,4-b]Pyridin-3(2H)-One
CAS Number2942-43-0
Alfabeta NameDIHYDROPYRAZOLOPYRIDINONE HB123343[]------,,
MDL NumberMFCD03013435
Chemical Name Translation1H-吡唑并[3,4-b]吡啶-3(2H)-酮
LabNetwork Molecule IDLN00151210
PubChem Substance ID420797
InChIInChI=1S/C6H5N3O/c10-6-4-2-1-3-7-5(4)8-9-6/h1-3H,(H2,7,8,9,10)
Synonym 1H-Pyrazolo[3,4-b]pyridin-3(2H)-one {LY} 1H-Pyrazolo[3,4-b]pyridin-3(2H)-one {} {LY} 1H-Pyrazolo[3,4-b]pyridin-3(2H)-one {} {} {LY} 1H-Pyrazolo[3,4-b]pyridin-3(2H)-one {} {} {} {LY} 1H-Pyrazolo[3,4-b]pyridin-3(2H)-one {} {} {} {} {LY} 1H-Pyrazolo[3,4-b]pyridin-3(2H)-one {} {} {} {} {} {} {} {} {} {} {LY} 1H-Pyrazolo[3,4-b]pyridin-3(2H)-one {} {} {} {} {} {} {LY} 1H-Pyrazolo[3,4-b]pyridin-3(2H)-one {} {} {} {} {} {} {} {LY} 1H-Pyrazolo[3,4-b]pyridin-3(2H)-one {} {} {} {} {} {} {} {} {LY} 1H-Pyrazolo[3,4-b]pyridin-3(2H)-one {} {} {} {} {} {} {} {} {} {LY} 1H-Pyrazolo[3,4-b]pyridin-3(2H)-one {} {} {} {} {} {} {} {} {} {} {LY} 1H-Pyrazolo[3,4-b]pyridin-3(2H)-one {} {} {} {} {} {} {} {} {} {} {} {LY} 1H-Pyrazolo[3,4-b]pyridin-3(2H)-one {} {} {} {} {} {} {} {} {} {} {} {} {LY} 1H-Pyrazolo[3,4-b]pyridin-3(2H)-one {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 1H-Pyrazolo[3,4-b]pyridin-3(2H)-one {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 1H-Pyrazolo[3,4-b]pyridin-3(2H)-
Canonical SMILESO=C1NNC2=C1C=CC=N2
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分类

  • {KO} AminesSecondaryHeteroNH

安全信息

Warnings IRRITANT
Storage condition Store at room temperature {LY} Store at room temperature {} {LY} Store at room temperature {} {} {LY} Store at room temperature {} {} {} {LY} Store at room temperature {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {}

药物吸收、分布、代谢与排泄(ADME)

Rotatable Bonds
0
Lipinski's Rule of 3
Y
H-bond Acceptors
2
Lipinski's Rule of 5
Y
LogP
-2.818999999999999e-001
H-bond Donors
2

系列性分类

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