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141117-01-3 | 2H-Pyran-2-one, 6-[2-[5-(4-fluorophenyl)-3-(1-methylethyl)-1-(2-pyridinyl)-1H-pyrazol-4-yl]ethenyl]tetrahydro-4-hydroxy-, [4R-[4α,6β(E)]]- (9CI)
CAS No: 141117-01-3 Catalog No: AG001FXR MDL No:
Product Description
Catalog Number:
AG001FXR
Chemical Name:
2H-Pyran-2-one, 6-[2-[5-(4-fluorophenyl)-3-(1-methylethyl)-1-(2-pyridinyl)-1H-pyrazol-4-yl]ethenyl]tetrahydro-4-hydroxy-, [4R-[4α,6β(E)]]- (9CI)
CAS Number:
141117-01-3
IUPAC Name:
6-[2-[5-(4-fluorophenyl)-3-propan-2-yl-1-pyridin-2-ylpyrazol-4-yl]ethenyl]-4-hydroxyoxan-2-one
InChI:
InChI=1S/C24H24FN3O3/c1-15(2)23-20(11-10-19-13-18(29)14-22(30)31-19)24(16-6-8-17(25)9-7-16)28(27-23)21-5-3-4-12-26-21/h3-12,15,18-19,29H,13-14H2,1-2H3
InChI Key:
LRZMDTLDCSDUGJ-UHFFFAOYSA-N
Properties
Complexity:
638
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
421.18g/mol
Formal Charge:
0
Heavy Atom Count:
31
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
421.472g/mol
Monoisotopic Mass:
421.18g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
77.2A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
1
XLogP3:
3.9
Literature
| Title | Journal |
|---|---|
| Inhibitors of cholesterol biosynthesis. 6. trans-6-[2-(2-N-heteroaryl-3,5-disubstituted- pyrazol-4-yl)ethyl/ethenyl]tetrahydro-4-hydroxy-2H-pyran-2-ones. | Journal of medicinal chemistry 19920529 |
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