PF-06454589

Ligand id: 8295

Name: PF-06454589

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 7
Hydrogen bond donors 1
Rotatable bonds 2
Topological polar surface area 71.86
Molecular weight 284.14
XLogP -0.52
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
4-[5-(1-methylpyrazol-4-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]morpholine
Synonyms
compound 28 [PMID: 25353650]
Database Links
PubChem CID 72706837
RCSB PDB Ligand 3JA
Search Google for chemical match using the InChIKey VNWKCLDQBNSJJO-UHFFFAOYSA-N
Search Google for chemicals with the same backbone VNWKCLDQBNSJJO
Search UniChem for chemical match using the InChIKey VNWKCLDQBNSJJO-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone VNWKCLDQBNSJJO
SynPHARM 81932 (in complex with leucine rich repeat kinase 2)