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PF-06650833

CAS No.:
1817626-54-2
Catalog Number:
AG00233C
Molecular Formula:
C18H20FN3O4
Molecular Weight:
361.3675
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
5mg
99%
1 week
United States
$165
- +
10mg
99%
1 week
United States
$257
- +
50mg
99%
1 week
United States
$957
- +
100mg
99%
1 week
United States
$1657
- +
Product Description
Catalog Number:
AG00233C
Chemical Name:
PF-06650833
CAS Number:
1817626-54-2
Molecular Formula:
C18H20FN3O4
Molecular Weight:
361.3675
MDL Number:
MFCD30343869
IUPAC Name:
1-[[(2S,3S,4S)-3-ethyl-4-fluoro-5-oxopyrrolidin-2-yl]methoxy]-7-methoxyisoquinoline-6-carboxamide
InChI:
InChI=1S/C18H20FN3O4/c1-3-10-13(22-17(24)15(10)19)8-26-18-11-7-14(25-2)12(16(20)23)6-9(11)4-5-21-18/h4-7,10,13,15H,3,8H2,1-2H3,(H2,20,23)(H,22,24)/t10-,13+,15-/m0/s1
InChI Key:
JKDGKIBAOAFRPJ-ZBINZKHDSA-N
SMILES:
CC[C@H]1[C@@H](COc2nccc3c2cc(OC)c(c3)C(=O)N)NC(=O)[C@H]1F
UNII:
S3F315JJXI
Properties
Complexity:
535  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
3  
Defined Bond Stereocenter Count:
0
Exact Mass:
361.144g/mol
Formal Charge:
0
Heavy Atom Count:
26  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
361.373g/mol
Monoisotopic Mass:
361.144g/mol
Rotatable Bond Count:
6  
Topological Polar Surface Area:
104A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2  
Literature
Title Journal
Discovery of Clinical Candidate 1-{[(2S,3S,4S)-3-Ethyl-4-fluoro-5-oxopyrrolidin-2-yl]methoxy}-7-methoxyisoquinoline-6-carboxamide (PF-06650833), a Potent, Selective Inhibitor of Interleukin-1 Receptor Associated Kinase 4 (IRAK4), by Fragment-Based Drug Design. Journal of medicinal chemistry 20170713
Properties