QO-58

Ligand id: 7669

Name: QO-58

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 5
Hydrogen bond donors 1
Rotatable bonds 3
Topological polar surface area 59.81
Molecular weight 442
XLogP 6.34
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
5-(2,6-dichloro-5-fluoropyridin-3-yl)-3-phenyl-2-(trifluoromethyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one
Comments
PubChem CID 51351551 represents an alternative isomer of this compound.
Database Links
BindingDB Ligand 50339281
ChEMBL Ligand CHEMBL1689654
GtoPdb PubChem SID 223366004
PubChem CID 51351551
Search Google for chemical match using the InChIKey JEXACLGXUUYXDX-UHFFFAOYSA-N
Search Google for chemicals with the same backbone JEXACLGXUUYXDX
Search UniChem for chemical match using the InChIKey JEXACLGXUUYXDX-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone JEXACLGXUUYXDX

Product suppliers

Tocris
QO 58
Cat. No. 5083