5-(4-methoxyphenyl)-1-methyl-6-pyridin-4-yl-3-thiophen-3-ylpyridin-2-one

C22H18N2O2S — CID 10571452

IUPAC5-(4-methoxyphenyl)-1-methyl-6-pyridin-4-yl-3-thiophen-3-ylpyridin-2-one
SMILESCOc1ccc(-c2cc(-c3ccsc3)c(=O)n(C)c2-c2ccncc2)cc1
InChIInChI=1S/C22H18N2O2S/c1-24-21(16-7-10-23-11-8-16)19(15-3-5-18(26-2)6-4-15)13-20(22(24)25)17-9-12-27-14-17/h3-14H,1-2H3
InChIKeyCOKSTUDOWROCJE-UHFFFAOYSA-N
MW374.47 g/mol
LogP4.85
Rot. Bonds4

About 5-(4-methoxyphenyl)-1-methyl-6-pyridin-4-yl-3-thiophen-3-ylpyridin-2-one

5-(4-methoxyphenyl)-1-methyl-6-pyridin-4-yl-3-thiophen-3-ylpyridin-2-one (PubChem CID 10571452) has the molecular formula C22H18N2O2S and a molecular weight of 374.47 g/mol. Its IUPAC name is 5-(4-methoxyphenyl)-1-methyl-6-pyridin-4-yl-3-thiophen-3-ylpyridin-2-one.

Molecular Properties

Compound Name5-(4-methoxyphenyl)-1-methyl-6-pyridin-4-yl-3-thiophen-3-ylpyridin-2-one
PubChem CID10571452
Molecular FormulaC22H18N2O2S
Molecular Weight374.47 g/mol
Exact Mass374.11
IUPAC Name5-(4-methoxyphenyl)-1-methyl-6-pyridin-4-yl-3-thiophen-3-ylpyridin-2-one
SMILESCOc1ccc(-c2cc(-c3ccsc3)c(=O)n(C)c2-c2ccncc2)cc1
InChIInChI=1S/C22H18N2O2S/c1-24-21(16-7-10-23-11-8-16)19(15-3-5-18(26-2)6-4-15)13-20(22(24)25)17-9-12-27-14-17/h3-14H,1-2H3
InChIKeyCOKSTUDOWROCJE-UHFFFAOYSA-N
XLogP4.85
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.47
LogP ≤ 54.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(4-methoxyphenyl)-1-methyl-6-pyridin-4-yl-3-thiophen-3-ylpyridin-2-one?
The IUPAC name of 5-(4-methoxyphenyl)-1-methyl-6-pyridin-4-yl-3-thiophen-3-ylpyridin-2-one (CID 10571452) is 5-(4-methoxyphenyl)-1-methyl-6-pyridin-4-yl-3-thiophen-3-ylpyridin-2-one.
What is the SMILES notation for 5-(4-methoxyphenyl)-1-methyl-6-pyridin-4-yl-3-thiophen-3-ylpyridin-2-one?
The canonical SMILES for 5-(4-methoxyphenyl)-1-methyl-6-pyridin-4-yl-3-thiophen-3-ylpyridin-2-one is COc1ccc(-c2cc(-c3ccsc3)c(=O)n(C)c2-c2ccncc2)cc1.
What is the InChIKey of 5-(4-methoxyphenyl)-1-methyl-6-pyridin-4-yl-3-thiophen-3-ylpyridin-2-one?
The InChIKey is COKSTUDOWROCJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N2O2S/c1-24-21(16-7-10-23-11-8-16)19(15-3-5-18(26-2)6-4-15)13-20(22(24)25)17-9-12-27-14-17/h3-14H,1-2H3.
What are the key properties of 5-(4-methoxyphenyl)-1-methyl-6-pyridin-4-yl-3-thiophen-3-ylpyridin-2-one?
5-(4-methoxyphenyl)-1-methyl-6-pyridin-4-yl-3-thiophen-3-ylpyridin-2-one has a molecular weight of 374.47 g/mol, XLogP of 4.85, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methoxyphenyl)-1-methyl-6-pyridin-4-yl-3-thiophen-3-ylpyridin-2-one is sourced from PubChem (CID 10571452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).