1H-Pyrrolo[3,4-c]pyridin-3(2H)-one

Name: 1H-Pyrrolo[3,4-c]pyridin-3(2H)-one
Brand: ChemScene
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CAS No. 40107-95-7
Cat. No. CS-0052557
Purity≥97%
MDL No.None

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1H-Pyrrolo[3,4-c]pyridin-3(2H)-one|CS-0052557

Structure of 40107-95-7

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General Information

CAS No. 40107-95-7
Cat. No. CS-0052557
Purity ≥97%
MDL No. None
Storage Store at room temperature
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₇H₆N₂O
Molecular Weight 134.14
Synonym(s) 1H-Pyrrolo[3,4-c]pyridin-3(2H)
SMILES O=C1NCC2=CC=NC=C12

Description

1H-Pyrrolo[3,4-c]pyridin-3(2H)-one is a heterocyclic scaffold featuring a fused pyrrole-pyridinone core with intrinsic electron-rich character. This rigid, planar structure enables strong π-stacking interactions and serves as a privileged motif in medicinal chemistry. The lactam functionality provides hydrogen-bonding capacity and enhances solubility, facilitating integration into drug discovery programs targeting kinase and receptor systems.

Application

1H-Pyrrolo[3,4-c]pyridin-3(2H)-one serves as a versatile heterocyclic building block for medicinal chemistry and materials science. Its fused tricyclic structure provides a rigid scaffold with defined polarity and hydrogen-bonding capacity, enabling selective interactions in target binding. The lactam functionality offers moderate stability and facilitates derivatization via amide formation or nucleophilic substitution. This compound functions as a core motif in the synthesis of kinase inhibitors and other bioactive molecules, demonstrating compatibility with standard coupling reactions and purification methods.

Synthesis

Route1
- In-stock
  
  4664-01-1
- ~16%
- In-stock
  
  40107-95-7
References
- Galli, Ubaldina; Mesenzani, Ornella; Coppo, Camilla; Sorba, Giovanni; Canonico, Pier Luigi; Tron, Gian Cesare; Genazzani, Armando A. European Journal of Medicinal Chemistry, 2012 , vol. 55, p. 58 - 66,9

Safety Information

Download SDS

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

Quality Control

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Computational Chemistry Data

TPSA 41.99
LogP 0.325
H_Acceptors 2
H_Donors 1
Rotatable_Bonds 0

Other Classifications

Building Blocks Skeleton Aromatic heterocycle compounds Pyridine compounds

Key Words

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1H-Pyrrolo[3,4-c]pyridin-3(2H)-one

CAS No. 40107-95-7

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