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1232030-35-1 | Pyrido[2,3-d]pyriMidin-7(8H)-one, 6-(2,4-dichlorophenyl)-8-ethyl-2-[[3-fluoro-4-(1-piperazinyl)phenyl]aMino]-
CAS No: 1232030-35-1 Catalog No: AG000K5V MDL No:MFCD26793866
Product Description
Catalog Number:
AG000K5V
Chemical Name:
Pyrido[2,3-d]pyriMidin-7(8H)-one, 6-(2,4-dichlorophenyl)-8-ethyl-2-[[3-fluoro-4-(1-piperazinyl)phenyl]aMino]-
CAS Number:
1232030-35-1
Molecular Formula:
C25H23Cl2FN6O
Molecular Weight:
513.3941
MDL Number:
MFCD26793866
IUPAC Name:
6-(2,4-dichlorophenyl)-8-ethyl-2-(3-fluoro-4-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one
InChI:
InChI=1S/C25H23Cl2FN6O/c1-2-34-23-15(11-19(24(34)35)18-5-3-16(26)12-20(18)27)14-30-25(32-23)31-17-4-6-22(21(28)13-17)33-9-7-29-8-10-33/h3-6,11-14,29H,2,7-10H2,1H3,(H,30,31,32)
InChI Key:
DHKFOIHIUYFSOF-UHFFFAOYSA-N
SMILES:
CCn1c2nc(ncc2cc(c1=O)c1ccc(cc1Cl)Cl)Nc1ccc(c(c1)F)N1CCNCC1
Properties
Complexity:
783
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
512.129g/mol
Formal Charge:
0
Heavy Atom Count:
35
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
513.398g/mol
Monoisotopic Mass:
512.129g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
73.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.8
Literature
| Title | Journal |
|---|---|
| Optimization of a Dibenzodiazepine Hit to a Potent and Selective Allosteric PAK1 Inhibitor. | ACS medicinal chemistry letters 20150709 |
| PAKs inhibitors ameliorate schizophrenia-associated dendritic spine deterioration in vitro and in vivo during late adolescence. | Proceedings of the National Academy of Sciences of the United States of America 20140429 |
| Rescue of fragile X syndrome phenotypes in Fmr1 KO mice by the small-molecule PAK inhibitor FRAX486. | Proceedings of the National Academy of Sciences of the United States of America 20130402 |
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