PF-06426779   

GtoPdb Ligand ID: 9666

Synonyms: example 189 [WO2015150995] | example 38 [PMID:28498658]
Compound class: Synthetic organic
Comment: PF-06426779 is an IRAK4 inhibitor. It is claimed as example 189 in Pfizer's patent WO2015150995 [1].
2D Structure
Click here for structure editor
Physico-chemical Properties
Hydrogen bond acceptors 5
Hydrogen bond donors 2
Rotatable bonds 5
Topological polar surface area 103.54
Molecular weight 347.13
XLogP 1.43
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
Canonical SMILES COc1cc2c(OCC3NC(=O)C(C3C)F)nccc2cc1C(=O)N
Isomeric SMILES COc1cc2c(OC[C@H]3NC(=O)[C@H]([C@H]3C)F)nccc2cc1C(=O)N
InChI InChI=1S/C17H18FN3O4/c1-8-12(21-16(23)14(8)18)7-25-17-10-6-13(24-2)11(15(19)22)5-9(10)3-4-20-17/h3-6,8,12,14H,7H2,1-2H3,(H2,19,22)(H,21,23)/t8-,12+,14-/m0/s1
InChI Key GISRWBROCYNDME-PELMWDNLSA-N
Classification
Compound class Synthetic organic
IUPAC Name
1-{[(2S,3S,4S)-4-fluoro-3-methyl-5-oxopyrrolidin-2-yl]methoxy}-7-methoxyisoquinoline-6-carboxamide
Synonyms
example 189 [WO2015150995] | example 38 [PMID:28498658]
Database Links
GtoPdb PubChem SID 348353625
PubChem CID 118414536
Search Google for chemical match using the InChIKey GISRWBROCYNDME-PELMWDNLSA-N
Search Google for chemicals with the same backbone GISRWBROCYNDME
Search UniChem for chemical match using the InChIKey GISRWBROCYNDME-PELMWDNLSA-N
Search UniChem for chemicals with the same backbone GISRWBROCYNDME