6-(4-methoxyphenyl)-4-(4-methylsulfonylphenyl)-3-pyridin-4-ylpyran-2-one

C24H19NO5S — CID 11476001

IUPAC6-(4-methoxyphenyl)-4-(4-methylsulfonylphenyl)-3-pyridin-4-ylpyran-2-one
SMILESCOc1ccc(-c2cc(-c3ccc(S(C)(=O)=O)cc3)c(-c3ccncc3)c(=O)o2)cc1
InChIInChI=1S/C24H19NO5S/c1-29-19-7-3-17(4-8-19)22-15-21(16-5-9-20(10-6-16)31(2,27)28)23(24(26)30-22)18-11-13-25-14-12-18/h3-15H,1-2H3
InChIKeyNVDLDWBUCGDCRR-UHFFFAOYSA-N
MW433.49 g/mol
LogP4.45
Rot. Bonds5

About 6-(4-methoxyphenyl)-4-(4-methylsulfonylphenyl)-3-pyridin-4-ylpyran-2-one

6-(4-methoxyphenyl)-4-(4-methylsulfonylphenyl)-3-pyridin-4-ylpyran-2-one (PubChem CID 11476001) has the molecular formula C24H19NO5S and a molecular weight of 433.49 g/mol. Its IUPAC name is 6-(4-methoxyphenyl)-4-(4-methylsulfonylphenyl)-3-pyridin-4-ylpyran-2-one.

Molecular Properties

Compound Name6-(4-methoxyphenyl)-4-(4-methylsulfonylphenyl)-3-pyridin-4-ylpyran-2-one
PubChem CID11476001
Molecular FormulaC24H19NO5S
Molecular Weight433.49 g/mol
Exact Mass433.10
IUPAC Name6-(4-methoxyphenyl)-4-(4-methylsulfonylphenyl)-3-pyridin-4-ylpyran-2-one
SMILESCOc1ccc(-c2cc(-c3ccc(S(C)(=O)=O)cc3)c(-c3ccncc3)c(=O)o2)cc1
InChIInChI=1S/C24H19NO5S/c1-29-19-7-3-17(4-8-19)22-15-21(16-5-9-20(10-6-16)31(2,27)28)23(24(26)30-22)18-11-13-25-14-12-18/h3-15H,1-2H3
InChIKeyNVDLDWBUCGDCRR-UHFFFAOYSA-N
XLogP4.45
TPSA86.47 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.49
LogP ≤ 54.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-(4-methoxyphenyl)-4-(4-methylsulfonylphenyl)-3-pyridin-4-ylpyran-2-one?
The IUPAC name of 6-(4-methoxyphenyl)-4-(4-methylsulfonylphenyl)-3-pyridin-4-ylpyran-2-one (CID 11476001) is 6-(4-methoxyphenyl)-4-(4-methylsulfonylphenyl)-3-pyridin-4-ylpyran-2-one.
What is the SMILES notation for 6-(4-methoxyphenyl)-4-(4-methylsulfonylphenyl)-3-pyridin-4-ylpyran-2-one?
The canonical SMILES for 6-(4-methoxyphenyl)-4-(4-methylsulfonylphenyl)-3-pyridin-4-ylpyran-2-one is COc1ccc(-c2cc(-c3ccc(S(C)(=O)=O)cc3)c(-c3ccncc3)c(=O)o2)cc1.
What is the InChIKey of 6-(4-methoxyphenyl)-4-(4-methylsulfonylphenyl)-3-pyridin-4-ylpyran-2-one?
The InChIKey is NVDLDWBUCGDCRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19NO5S/c1-29-19-7-3-17(4-8-19)22-15-21(16-5-9-20(10-6-16)31(2,27)28)23(24(26)30-22)18-11-13-25-14-12-18/h3-15H,1-2H3.
What are the key properties of 6-(4-methoxyphenyl)-4-(4-methylsulfonylphenyl)-3-pyridin-4-ylpyran-2-one?
6-(4-methoxyphenyl)-4-(4-methylsulfonylphenyl)-3-pyridin-4-ylpyran-2-one has a molecular weight of 433.49 g/mol, XLogP of 4.45, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-methoxyphenyl)-4-(4-methylsulfonylphenyl)-3-pyridin-4-ylpyran-2-one is sourced from PubChem (CID 11476001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).