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1799753-84-6 | 2,4-Quinolinedicarboxamide, N4-[1-[(4-cyanophenyl)methyl]-5-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]-7-fluoro-
CAS No: 1799753-84-6 Catalog No: AG0021JG MDL No:
Product Description
Catalog Number:
AG0021JG
Chemical Name:
2,4-Quinolinedicarboxamide, N4-[1-[(4-cyanophenyl)methyl]-5-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]-7-fluoro-
CAS Number:
1799753-84-6
Molecular Formula:
C24H16F4N6O2
Molecular Weight:
496.4165
IUPAC Name:
4-N-[1-[(4-cyanophenyl)methyl]-5-methyl-3-(trifluoromethyl)pyrazol-4-yl]-7-fluoroquinoline-2,4-dicarboxamide
InChI:
InChI=1S/C24H16F4N6O2/c1-12-20(21(24(26,27)28)33-34(12)11-14-4-2-13(10-29)3-5-14)32-23(36)17-9-19(22(30)35)31-18-8-15(25)6-7-16(17)18/h2-9H,11H2,1H3,(H2,30,35)(H,32,36)
InChI Key:
BKLJDIJJOOQUFG-UHFFFAOYSA-N
SMILES:
N#Cc1ccc(cc1)Cn1nc(c(c1C)NC(=O)c1cc(nc2c1ccc(c2)F)C(=O)N)C(F)(F)F
Properties
Complexity:
870
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
496.127g/mol
Formal Charge:
0
Heavy Atom Count:
36
Hydrogen Bond Acceptor Count:
9
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
496.426g/mol
Monoisotopic Mass:
496.127g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
127A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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