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Home > Fluorides > 148680-63-1
148680-63-1 | Pyrazolo[1,5-d][1,2,4]triazin-4(5H)-one, 5-[[4-(4-fluorophenyl)-1-piperazinyl]methyl]-2-(4-methoxyphenyl)-
CAS No: 148680-63-1 Catalog No: AG001L3T MDL No:
Product Description
Catalog Number:
AG001L3T
Chemical Name:
Pyrazolo[1,5-d][1,2,4]triazin-4(5H)-one, 5-[[4-(4-fluorophenyl)-1-piperazinyl]methyl]-2-(4-methoxyphenyl)-
CAS Number:
148680-63-1
Molecular Formula:
C23H23FN6O2
Molecular Weight:
434.4661
IUPAC Name:
5-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-2-(4-methoxyphenyl)pyrazolo[1,5-d][1,2,4]triazin-4-one
InChI:
InChI=1S/C23H23FN6O2/c1-32-20-8-2-17(3-9-20)21-14-22-23(31)30(25-15-29(22)26-21)16-27-10-12-28(13-11-27)19-6-4-18(24)5-7-19/h2-9,14-15H,10-13,16H2,1H3
InChI Key:
QOTWGDLZNSBQTD-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)c1nn2c(c1)c(=O)n(nc2)CN1CCN(CC1)c1ccc(cc1)F
Properties
Complexity:
671
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
434.187g/mol
Formal Charge:
0
Heavy Atom Count:
32
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
434.475g/mol
Monoisotopic Mass:
434.187g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
66.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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