1H-pyrazolo[3,4-b]pyridine 1H-吡唑并[3,4-b]吡啶

CAS 271-73-8 MFCD05663981

化学结构图

271-73-8
SMILES: c1cnc2[nH]ncc2c1

化学属性

Mol. FormulaC6H5N3
Mol. Weight119.12
Melting Point99-101°C
Density1.422
TSCANo
Boiling Point294.5°C at 760 mmHg

别名和识别编码

Chemical Name1H-pyrazolo[3,4-b]pyridine
CAS Number271-73-8
Alfabeta NamePYRAZOLOPYRIDINE HB134[]--,
MDL NumberMFCD05663981
Synonym 7-Azaindazole {LY} 7-Azaindazole {} {LY} 7-Azaindazole {} {} {LY} 7-Azaindazole {} {} {} {LY} 7-Azaindazole {} {} {} {} {LY} 7-Azaindazole {} {} {} {} {} {LY} 7-Azaindazole {} {} {} {} {} {} {LY} 7-Azaindazole {} {} {} {} {} {} {} {LY} 7-Azaindazole {} {} {} {} {} {} {} {} {LY} 7-Azaindazole {} {} {} {} {} {} {} {} {} {LY} 7-Azaindazole {} {} {} {} {} {} {} {} {} {} {LY} 7-Azaindazole {} {} {} {} {} {} {} {} {} {} {} {LY} 7-Azaindazole {} {} {} {} {} {} {} {} {} {} {} {} {LY} 7-Azaindazole {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 7-Azaindazole {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 7-Azaindazole {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 7-Azaindazole {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 7-Azaindazole {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 7-Azaindazole {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {
EC Number250-023-7
Beilstein Registry Number2384789
Chemical Name Translation1H-吡唑并[3,4-b]吡啶
PubChem Substance ID2755850
LabNetwork Molecule IDLN00011316
InChIInChI=1S/C6H5N3/c1-2-5-4-8-9-6(5)7-3-1/h1-4H,(H,7,8,9)
Canonical SMILESC12=NC=CC=C1C=NN2
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分类

  • {SNA} Building Blocks, C6, Chemical Synthesis, Heterocyclic Building Blocks, Pyridines
  • Inhibitors
  • {SNA} Building Blocks, C6, Chemical Synthesis, Heterocyclic Building Blocks, New Products for Chemical Synthesis, Pyridines
  • Heterocycles
  • Pharmaceuticals
  • {KO} AminesSecondaryHeteroNH
  • Intermediates & Fine Chemicals

产品应用

  • A pyrazole derivative as kinase inhibitors.

相关文献及参考

  • Jones, G., et al.: J. Mol. Biol., 267, 727

安全信息

Warnings IRRITANT
Signal word
GHS Symbol
WGK Germany3
Safety Statements
  • S60 This material and its container must be disposed of as hazardous waste 该物质及其容器必须作为危险废物处置；
  • S26 In case of contact with eyes, rinse immediately with plenty of water and seek medical advice 眼睛接触后，立即用大量水冲洗并征求医生意见；
  • S37 Wear suitable gloves 戴适当手套；
Risk Statements
Precautionary statements
Storage condition 2-8°C {LY} 2-8°C {} {LY} 2-8°C {} {} {LY} 2-8°C {} {} {} {LY} 2-8°C {} {} {} {} {LY} 2-8°C {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {
Hazard statements
  • H302 Harmful if swallowed 吞食有害
Hazard Codes Xn

药物吸收、分布、代谢与排泄(ADME)

Lipinski's Rule of 3
Y
Lipinski's Rule of 5
Y
H-bond Donors
1
H-bond Acceptors
2
Rotatable Bonds
0
LogP
5.866000000000000e-001

系列性分类

  1. C6 to C7 - Pyridines
  1. Chemical Synthesis 化学合成
  2. Building Blocks 合成砌块
  3. Heterocyclic Building Blocks 杂环合成砌块
  4. Pyrazoles 吡唑

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