3-[4-(3-fluoro-4-propoxyphenyl)sulfonylphenyl]-1-imidazo[1,2-a]pyrimidin-6-ylpropan-1-one

C24H22FN3O4S — CID 149215259

IUPAC3-[4-(3-fluoro-4-propoxyphenyl)sulfonylphenyl]-1-imidazo[1,2-a]pyrimidin-6-ylpropan-1-one
SMILESCCCOc1ccc(S(=O)(=O)c2ccc(CCC(=O)c3cnc4nccn4c3)cc2)cc1F
InChIInChI=1S/C24H22FN3O4S/c1-2-13-32-23-10-8-20(14-21(23)25)33(30,31)19-6-3-17(4-7-19)5-9-22(29)18-15-27-24-26-11-12-28(24)16-18/h3-4,6-8,10-12,14-16H,2,5,9,13H2,1H3
InChIKeyXHJJYLAUEPOEGI-UHFFFAOYSA-N
MW467.52 g/mol
LogP4.31
Rot. Bonds9

About 3-[4-(3-fluoro-4-propoxyphenyl)sulfonylphenyl]-1-imidazo[1,2-a]pyrimidin-6-ylpropan-1-one

3-[4-(3-fluoro-4-propoxyphenyl)sulfonylphenyl]-1-imidazo[1,2-a]pyrimidin-6-ylpropan-1-one (PubChem CID 149215259) has the molecular formula C24H22FN3O4S and a molecular weight of 467.52 g/mol. Its IUPAC name is 3-[4-(3-fluoro-4-propoxyphenyl)sulfonylphenyl]-1-imidazo[1,2-a]pyrimidin-6-ylpropan-1-one.

Molecular Properties

Compound Name3-[4-(3-fluoro-4-propoxyphenyl)sulfonylphenyl]-1-imidazo[1,2-a]pyrimidin-6-ylpropan-1-one
PubChem CID149215259
Molecular FormulaC24H22FN3O4S
Molecular Weight467.52 g/mol
Exact Mass467.13
IUPAC Name3-[4-(3-fluoro-4-propoxyphenyl)sulfonylphenyl]-1-imidazo[1,2-a]pyrimidin-6-ylpropan-1-one
SMILESCCCOc1ccc(S(=O)(=O)c2ccc(CCC(=O)c3cnc4nccn4c3)cc2)cc1F
InChIInChI=1S/C24H22FN3O4S/c1-2-13-32-23-10-8-20(14-21(23)25)33(30,31)19-6-3-17(4-7-19)5-9-22(29)18-15-27-24-26-11-12-28(24)16-18/h3-4,6-8,10-12,14-16H,2,5,9,13H2,1H3
InChIKeyXHJJYLAUEPOEGI-UHFFFAOYSA-N
XLogP4.31
TPSA90.63 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.52
LogP ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-[4-(3-fluoro-4-propoxyphenyl)sulfonylphenyl]-1-imidazo[1,2-a]pyrimidin-6-ylpropan-1-one?
The IUPAC name of 3-[4-(3-fluoro-4-propoxyphenyl)sulfonylphenyl]-1-imidazo[1,2-a]pyrimidin-6-ylpropan-1-one (CID 149215259) is 3-[4-(3-fluoro-4-propoxyphenyl)sulfonylphenyl]-1-imidazo[1,2-a]pyrimidin-6-ylpropan-1-one.
What is the SMILES notation for 3-[4-(3-fluoro-4-propoxyphenyl)sulfonylphenyl]-1-imidazo[1,2-a]pyrimidin-6-ylpropan-1-one?
The canonical SMILES for 3-[4-(3-fluoro-4-propoxyphenyl)sulfonylphenyl]-1-imidazo[1,2-a]pyrimidin-6-ylpropan-1-one is CCCOc1ccc(S(=O)(=O)c2ccc(CCC(=O)c3cnc4nccn4c3)cc2)cc1F.
What is the InChIKey of 3-[4-(3-fluoro-4-propoxyphenyl)sulfonylphenyl]-1-imidazo[1,2-a]pyrimidin-6-ylpropan-1-one?
The InChIKey is XHJJYLAUEPOEGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22FN3O4S/c1-2-13-32-23-10-8-20(14-21(23)25)33(30,31)19-6-3-17(4-7-19)5-9-22(29)18-15-27-24-26-11-12-28(24)16-18/h3-4,6-8,10-12,14-16H,2,5,9,13H2,1H3.
What are the key properties of 3-[4-(3-fluoro-4-propoxyphenyl)sulfonylphenyl]-1-imidazo[1,2-a]pyrimidin-6-ylpropan-1-one?
3-[4-(3-fluoro-4-propoxyphenyl)sulfonylphenyl]-1-imidazo[1,2-a]pyrimidin-6-ylpropan-1-one has a molecular weight of 467.52 g/mol, XLogP of 4.31, 9 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(3-fluoro-4-propoxyphenyl)sulfonylphenyl]-1-imidazo[1,2-a]pyrimidin-6-ylpropan-1-one is sourced from PubChem (CID 149215259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).