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1449277-10-4,MFCD30489735
Catalog No.:AA003AQL
1449277-10-4 | GNE-495
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Purity
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5mg
97%
in stock  
$195.00   $136.00
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25mg
97%
in stock  
$379.00   $265.00
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  • Technical Information
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  • Technical Information
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  • Literature
Technical Information
Catalog Number:
AA003AQL
Chemical Name:
GNE-495
CAS Number:
1449277-10-4
Molecular Formula:
C22H20FN5O2
Molecular Weight:
405.4249
MDL Number:
MFCD30489735
IUPAC Name:
8-amino-N-[1-(cyclopropanecarbonyl)azetidin-3-yl]-2-(3-fluorophenyl)-1,7-naphthyridine-5-carboxamide
InChI:
InChI=1S/C22H20FN5O2/c23-14-3-1-2-13(8-14)18-7-6-16-17(9-25-20(24)19(16)27-18)21(29)26-15-10-28(11-15)22(30)12-4-5-12/h1-3,6-9,12,15H,4-5,10-11H2,(H2,24,25)(H,26,29)
InChI Key:
FYXCIBJXJYBWPX-UHFFFAOYSA-N
SMILES:
Fc1cccc(c1)c1ccc2c(n1)c(N)ncc2C(=O)NC1CN(C1)C(=O)C1CC1
Properties
Computed Properties
 
Complexity:
668  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
405.16g/mol
Formal Charge:
0
Heavy Atom Count:
30  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
405.433g/mol
Monoisotopic Mass:
405.16g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
101A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6  

Synonyms
 
GNE-495 
1449277-10-4 
SB19186 
AK601662 
HY-100343 
4P4 
8-Amino-N-[1-(cyclopropylcarbonyl)-3-azetidinyl]-2-(3-fluorophenyl)-1,7-naphthyridine-5-carboxamide 
8-Amino-N-[1-(Cyclopropylcarbonyl)azetidin-3-Yl]-2-(3-Fluorophenyl)-1,7-Naphthyridine-5-Carboxamide 
8-amino-N-(1-(cyclopropanecarbonyl)azetidin-3-yl)-2-(3-fluorophenyl)-1,7-naphthyridine-5-carboxamide 
8-amino-N-[1-(cyclopropanecarbonyl)azetidin-3-yl]-2-(3-fluorophenyl)-1,7-naphthyridine-5-carboxamide 
CHEMBL3623138 
SCHEMBL15161416 
FYXCIBJXJYBWPX-UHFFFAOYSA-N 
ZINC144770252 
CS-5957 
Literature

Title: Prognostic factors in polyarteritis.

Journal: The Journal of rheumatology 19751201

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