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Home > Fluorides > 1245469-28-6
1245469-28-6 | Piperazine, 1-[[1-(4-fluorophenyl)-3,5-dimethyl-1H-pyrazol-4-yl]methyl]-4-(3-methoxyphenyl)-
CAS No: 1245469-28-6 Catalog No: AG000M5X MDL No:
Product Description
Catalog Number:
AG000M5X
Chemical Name:
Piperazine, 1-[[1-(4-fluorophenyl)-3,5-dimethyl-1H-pyrazol-4-yl]methyl]-4-(3-methoxyphenyl)-
CAS Number:
1245469-28-6
Molecular Formula:
C23H27FN4O
Molecular Weight:
394.4851
IUPAC Name:
1-[[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]methyl]-4-(3-methoxyphenyl)piperazine
InChI:
InChI=1S/C23H27FN4O/c1-17-23(18(2)28(25-17)20-9-7-19(24)8-10-20)16-26-11-13-27(14-12-26)21-5-4-6-22(15-21)29-3/h4-10,15H,11-14,16H2,1-3H3
InChI Key:
STSDFTHBTSWXTG-UHFFFAOYSA-N
SMILES:
COc1cccc(c1)N1CCN(CC1)Cc1c(C)nn(c1C)c1ccc(cc1)F
Properties
Complexity:
507
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
394.217g/mol
Formal Charge:
0
Heavy Atom Count:
29
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
394.494g/mol
Monoisotopic Mass:
394.217g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
33.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.2
Literature
| Title | Journal |
|---|---|
| Smoothened antagonists for hair inhibition. | Bioorganic & medicinal chemistry letters 20100815 |
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