IPI549

Ligand id: 9563

Name: IPI549

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 10
Hydrogen bond donors 2
Rotatable bonds 5
Topological polar surface area 123.44
Molecular weight 528.2
XLogP 5.2
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
2-amino-N-[(1S)-1-[8-[2-(1-methylpyrazol-4-yl)ethynyl]-1-oxo-2-phenylisoquinolin-3-yl]ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
Synonyms
compound 26 [PMID: 27660692] | IPI-549
Database Links
PubChem CID 91933883
Search Google for chemical match using the InChIKey XUMALORDVCFWKV-IBGZPJMESA-N
Search Google for chemicals with the same backbone XUMALORDVCFWKV
Search UniChem for chemical match using the InChIKey XUMALORDVCFWKV-IBGZPJMESA-N
Search UniChem for chemicals with the same backbone XUMALORDVCFWKV
Comments
IPI549 is an orally bioavailable, highly selective small molecule PI3Kγ inhibitor [1].