3-[2-[4-(6-fluoro-1,2-benzoxazol-3-yl)-1-oxidopiperidin-1-ium-1-yl]ethyl]-9-hydroxy-2-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one


Chemical Name: 3-[2-[4-(6-fluoro-1,2-benzoxazol-3-yl)-1-oxidopiperidin-1-ium-1-yl]ethyl]-9-hydroxy-2-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one
CAS Number: 761460-08-6
Product Number: AG005FFA(AGN-PC-04R8IH)
Synonyms:
MDL No:
Molecular Formula: C23H27FN4O4
Molecular Weight: 442.4833

Identification/Properties


Properties
MP:
>150°C (dec.)
Storage:
-10 ℃;
Form:
Solid
Computed Properties
Molecular Weight:
442.491g/mol
XLogP3:
1.6
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
7
Rotatable Bond Count:
4
Exact Mass:
442.202g/mol
Monoisotopic Mass:
442.202g/mol
Topological Polar Surface Area:
97A^2
Heavy Atom Count:
32
Formal Charge:
0
Complexity:
810
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

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NMR Spectrum


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Chemical Structure



4-(6-Fluorobenzo[d]isoxazol-3-yl)-1-(2-(9-hydroxy-2-methyl-4-oxo-6,7,8,9-tetrahydro-4H-pyrido[1,2-a]pyrimidin-3-yl)ethyl)piperidine 1-oxide is a versatile compound that finds wide application in chemical synthesis. This compound is commonly used as a key building block in the creation of novel pharmaceutical agents and drug candidates due to its unique structure and pharmacological properties. Its complex molecular structure allows for modifications that can lead to the development of potent bioactive molecules with potential therapeutic benefits. Researchers utilize this compound to introduce specific functional groups, improve drug delivery, and enhance biological activity in the synthesis of new compounds for medicinal purposes.