Methyl 1H-pyrazolo[3,4-b]pyridine-5-carboxylate

Name: Methyl 1H-pyrazolo[3,4-b]pyridine-5-carboxylate
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CAS No. 1196156-42-9
Cat. No. CS-0049247
Purity≥95%
MDL No.None

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Methyl 1H-pyrazolo[3,4-b]pyridine-5-carboxylate|CS-0049247

Structure of 1196156-42-9

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General Information

CAS No. 1196156-42-9
Cat. No. CS-0049247
Purity ≥95%
MDL No. None
Storage Store at room temperature
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₈H₇N₃O₂
Molecular Weight 177.16
Synonym(s) None
SMILES COC(=O)C1=CN=C2NN=CC2=C1

Description

Methyl 1H-pyrazolo[3,4-b]pyridine-5-carboxylate features a fused heterocyclic core combining pyrazole and pyridine motifs, offering enhanced electronic delocalization. This bench-stable scaffold integrates readily into synthetic routes for bioactive molecules, particularly in medicinal chemistry applications requiring nitrogen-rich, planar architectures with predictable reactivity.

Application

Methyl 1H-pyrazolo[3,4-b]pyridine-5-carboxylate serves as a versatile heterocyclic building block for medicinal chemistry and materials science. Its pyrazolopyridine core enables straightforward functionalization at the 5-position via ester manipulation, while the nitrogen-rich framework supports diverse coupling reactions and metal-catalyzed transformations. The methyl ester group offers bench stability and facilitates purification, making it ideal for use in iterative synthesis of bioactive scaffolds and advanced conjugated systems.

Safety Information

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GHS Pictogram :	GHS No : GHS07
Signal Word : Warning	UN#: N/A
Class : N/A	Packing Group : N/A
Hazard Statements : H302-H315-H319-H335
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501

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Computational Chemistry Data

TPSA 67.87
LogP 0.7445
H_Acceptors 4
H_Donors 1
Rotatable_Bonds 1

Other Classifications

Building Blocks Skeleton Aromatic heterocycle compounds Pyridine compounds

Building Blocks Skeleton Aromatic heterocycle compounds Pyrazole compounds

Key Words

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Methyl 1H-pyrazolo[3,4-b]pyridine-5-carboxylate

CAS No. 1196156-42-9

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