compound 1 [WO2012007375]

Ligand id: 8084

Name: compound 1 [WO2012007375]

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 108.78
Molecular weight 400.14
XLogP 0.75
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
N-{2-[4-(aminomethyl)piperidin-1-yl]-5-chlorophenyl}-6-hydroxypyrazolo[1,5-a]pyrimidine-3-carboxamide
Database Links
PubChem CID 58056241
Search Google for chemical match using the InChIKey BNVZRFQNZWYPQH-UHFFFAOYSA-N
Search Google for chemicals with the same backbone BNVZRFQNZWYPQH
Search UniChem for chemical match using the InChIKey BNVZRFQNZWYPQH-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone BNVZRFQNZWYPQH
Comments
Development of this compound is covered in patent WO2012007375 [1]. It is a potent IRAK4 inhibitor.