AC1O1JSX structure

AC1O1JSX

5-[5-(6-bromo-2-oxo-4-phenyl-1H-quinolin-3-yl)-3-(2-fluorophenyl)-3,4-dihydropyrazol-2-yl]-5-oxopentanoic acid

Also Known As: F0770-0057|5-(3-(6-bromo-2-oxo-4-phenyl-1,2-dihydroquinolin-3-yl)-5-(2-fluorophenyl)-4,5-dihydro-1H-pyrazol-1-yl)-5-oxopentanoic acid|5-[3-(6-bromo-2-oxo-4-phenyl-1,2-dihydroquinolin-3-yl)-5-(2-fluorophenyl)-4,5-dihydro-1H-pyrazol-1-yl]-5-oxopentanoic acid|5-[(3E)-3-(6-bromo-2-oxo-4-phenylquinolin-3-ylidene)-5-(2-fluorophenyl)pyrazolidin-1-yl]-5-oxopentanoic acid|5-[(3Z)-3-(6-bromo-2-oxo-4-phenylquinolin-3-ylidene)-5-(2-fluorophenyl)pyrazolidin-1-yl]-5-oxopentanoic acid|5-[3-(6-bromo-2-hydroxy-4-phenylquinolin-3-yl)-5-(2-fluorophenyl)-4,5-dihydro-1H-pyrazol-1-yl]-5-oxopentanoic acid|5-[3-(6-bromo-2-oxo-4-phenyl-1,2-dihydro-3-quinolyl)-5-(o-fluorophenyl)-2-pyrazolin-1-yl]-5-oxovaleric acid|5-[3-(6-bromo-2-oxo-4-phenylquinolin-3-ylidene)-5-(2-fluorophenyl)pyrazolidin-1-yl]-5-oxopentanoic acid|5-[5-(6-bromo-2-oxo-4-phenyl-1H-quinolin-3-yl)-3-(2-fluorophenyl)-3,4-dihydropyrazol-2-yl]-5-oxopentanoic acid

CAS: 394239-89-5
Molecular Formula C29H23BrFN3O4
Molecular Weight 575.0856 g/mol
LogP 6.0293
Topological Polar Surface Area 102.83 Ų
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 4
Rotatable Bonds 7
Exact Mass 575.0856
Monoisotopic Mass 575.0856
Heavy Atoms 38
Complexity 1634.4534

Chemical Identifiers

CAS Number 394239-89-5
SMILES C1C(N(N=C1C2=C(C3=C(C=CC(=C3)Br)NC2=O)C4=CC=CC=C4)C(=O)CCCC(=O)O)C5=CC=CC=C5F

Product Overview

AC1O1JSX (CAS 394239-89-5), with molecular formula C29H23BrFN3O4 and molecular weight 575.0856 g/mol. IUPAC: 5-[5-(6-bromo-2-oxo-4-phenyl-1H-quinolin-3-yl)-3-(2-fluorophenyl)-3,4-dihydropyrazol-2-yl]-5-oxopentanoic acid.

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