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c-FMS inhibitor

CAS No.:
885704-21-2
Catalog Number:
AG00GU2H
Molecular Formula:
C23H30N6O
Molecular Weight:
406.5239
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Product Description
Catalog Number:
AG00GU2H
Chemical Name:
c-FMS inhibitor
CAS Number:
885704-21-2
Molecular Formula:
C23H30N6O
Molecular Weight:
406.5239
MDL Number:
MFCD22124465
IUPAC Name:
4-cyano-N-[4-(4-methylpiperazin-1-yl)-2-(4-methylpiperidin-1-yl)phenyl]-1H-pyrrole-2-carboxamide
InChI:
InChI=1S/C23H30N6O/c1-17-5-7-29(8-6-17)22-14-19(28-11-9-27(2)10-12-28)3-4-20(22)26-23(30)21-13-18(15-24)16-25-21/h3-4,13-14,16-17,25H,5-12H2,1-2H3,(H,26,30)
InChI Key:
DXPSQKSTVIVZLV-UHFFFAOYSA-N
SMILES:
N#Cc1c[nH]c(c1)C(=O)Nc1ccc(cc1N1CCC(CC1)C)N1CCN(CC1)C
Properties
Complexity:
631  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
406.248g/mol
Formal Charge:
0
Heavy Atom Count:
30  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
406.534g/mol
Monoisotopic Mass:
406.248g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
78.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9  
Literature
Title Journal
Design, Synthesis and Biological Evaluation of a Series of Novel Axl Kinase Inhibitors. ACS medicinal chemistry letters 20111208
Optimization of a potent class of arylamide colony-stimulating factor-1 receptor inhibitors leading to anti-inflammatory clinical candidate 4-cyano-N-[2-(1-cyclohexen-1-yl)-4-[1-[(dimethylamino)acetyl]-4-piperidinyl]phenyl]-1H-imidazole-2-carboxamide (JNJ-28312141). Journal of medicinal chemistry 20111124
Properties