compound 1d [PMID: 21493067]

Ligand id: 8123

Name: compound 1d [PMID: 21493067]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 7
Hydrogen bond donors 3
Rotatable bonds 5
Topological polar surface area 102.31
Molecular weight 355.14
XLogP 3.26
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
5-fluoro-2-{[1-(5-fluoropyridin-2-yl)ethyl]amino}-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyridine-3-carbonitrile
Database Links
ChEMBL Ligand CHEMBL1774056
PubChem CID 53232451
Search Google for chemical match using the InChIKey HIHOEGPXVVKJPP-JTQLQIEISA-N
Search Google for chemicals with the same backbone HIHOEGPXVVKJPP
Search UniChem for chemical match using the InChIKey HIHOEGPXVVKJPP-JTQLQIEISA-N
Search UniChem for chemicals with the same backbone HIHOEGPXVVKJPP
Comments
Compound 1d is a moderately selective JAK2 inhibitor [1].