2-[4-acetyl-3-(4-fluoro-2-methoxyphenyl)piperazin-1-yl]-3-methyl-6-pyridin-4-ylpyrimidin-4-one

C23H24FN5O3 — CID 11328055

IUPAC2-[4-acetyl-3-(4-fluoro-2-methoxyphenyl)piperazin-1-yl]-3-methyl-6-pyridin-4-ylpyrimidin-4-one
SMILESCOc1cc(F)ccc1C1CN(c2nc(-c3ccncc3)cc(=O)n2C)CCN1C(C)=O
InChIInChI=1S/C23H24FN5O3/c1-15(30)29-11-10-28(14-20(29)18-5-4-17(24)12-21(18)32-3)23-26-19(13-22(31)27(23)2)16-6-8-25-9-7-16/h4-9,12-13,20H,10-11,14H2,1-3H3
InChIKeySCZPQULZVKNUBV-UHFFFAOYSA-N
MW437.48 g/mol
LogP2.40
Rot. Bonds4

About 2-[4-acetyl-3-(4-fluoro-2-methoxyphenyl)piperazin-1-yl]-3-methyl-6-pyridin-4-ylpyrimidin-4-one

2-[4-acetyl-3-(4-fluoro-2-methoxyphenyl)piperazin-1-yl]-3-methyl-6-pyridin-4-ylpyrimidin-4-one (PubChem CID 11328055) has the molecular formula C23H24FN5O3 and a molecular weight of 437.48 g/mol. Its IUPAC name is 2-[4-acetyl-3-(4-fluoro-2-methoxyphenyl)piperazin-1-yl]-3-methyl-6-pyridin-4-ylpyrimidin-4-one.

Molecular Properties

Compound Name2-[4-acetyl-3-(4-fluoro-2-methoxyphenyl)piperazin-1-yl]-3-methyl-6-pyridin-4-ylpyrimidin-4-one
PubChem CID11328055
Molecular FormulaC23H24FN5O3
Molecular Weight437.48 g/mol
Exact Mass437.19
IUPAC Name2-[4-acetyl-3-(4-fluoro-2-methoxyphenyl)piperazin-1-yl]-3-methyl-6-pyridin-4-ylpyrimidin-4-one
SMILESCOc1cc(F)ccc1C1CN(c2nc(-c3ccncc3)cc(=O)n2C)CCN1C(C)=O
InChIInChI=1S/C23H24FN5O3/c1-15(30)29-11-10-28(14-20(29)18-5-4-17(24)12-21(18)32-3)23-26-19(13-22(31)27(23)2)16-6-8-25-9-7-16/h4-9,12-13,20H,10-11,14H2,1-3H3
InChIKeySCZPQULZVKNUBV-UHFFFAOYSA-N
XLogP2.40
TPSA80.56 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.48
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[4-acetyl-3-(4-fluoro-2-methoxyphenyl)piperazin-1-yl]-3-methyl-6-pyridin-4-ylpyrimidin-4-one?
The IUPAC name of 2-[4-acetyl-3-(4-fluoro-2-methoxyphenyl)piperazin-1-yl]-3-methyl-6-pyridin-4-ylpyrimidin-4-one (CID 11328055) is 2-[4-acetyl-3-(4-fluoro-2-methoxyphenyl)piperazin-1-yl]-3-methyl-6-pyridin-4-ylpyrimidin-4-one.
What is the SMILES notation for 2-[4-acetyl-3-(4-fluoro-2-methoxyphenyl)piperazin-1-yl]-3-methyl-6-pyridin-4-ylpyrimidin-4-one?
The canonical SMILES for 2-[4-acetyl-3-(4-fluoro-2-methoxyphenyl)piperazin-1-yl]-3-methyl-6-pyridin-4-ylpyrimidin-4-one is COc1cc(F)ccc1C1CN(c2nc(-c3ccncc3)cc(=O)n2C)CCN1C(C)=O.
What is the InChIKey of 2-[4-acetyl-3-(4-fluoro-2-methoxyphenyl)piperazin-1-yl]-3-methyl-6-pyridin-4-ylpyrimidin-4-one?
The InChIKey is SCZPQULZVKNUBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24FN5O3/c1-15(30)29-11-10-28(14-20(29)18-5-4-17(24)12-21(18)32-3)23-26-19(13-22(31)27(23)2)16-6-8-25-9-7-16/h4-9,12-13,20H,10-11,14H2,1-3H3.
What are the key properties of 2-[4-acetyl-3-(4-fluoro-2-methoxyphenyl)piperazin-1-yl]-3-methyl-6-pyridin-4-ylpyrimidin-4-one?
2-[4-acetyl-3-(4-fluoro-2-methoxyphenyl)piperazin-1-yl]-3-methyl-6-pyridin-4-ylpyrimidin-4-one has a molecular weight of 437.48 g/mol, XLogP of 2.40, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-acetyl-3-(4-fluoro-2-methoxyphenyl)piperazin-1-yl]-3-methyl-6-pyridin-4-ylpyrimidin-4-one is sourced from PubChem (CID 11328055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).