3-[1-(3-ethoxy-4-methoxyphenyl)-2-methylsulfonylethyl]-6-(2-methoxyphenyl)-1H-imidazo[4,5-b]pyridin-2-one

C25H27N3O6S — CID 138710644

IUPAC3-[1-(3-ethoxy-4-methoxyphenyl)-2-methylsulfonylethyl]-6-(2-methoxyphenyl)-1H-imidazo[4,5-b]pyridin-2-one
SMILESCCOc1cc(C(CS(C)(=O)=O)n2c(=O)[nH]c3cc(-c4ccccc4OC)cnc32)ccc1OC
InChIInChI=1S/C25H27N3O6S/c1-5-34-23-13-16(10-11-22(23)33-3)20(15-35(4,30)31)28-24-19(27-25(28)29)12-17(14-26-24)18-8-6-7-9-21(18)32-2/h6-14,20H,5,15H2,1-4H3,(H,27,29)
InChIKeyIWFAPQPEXBFFDA-UHFFFAOYSA-N
MW497.57 g/mol
LogP3.44
Rot. Bonds9

About 3-[1-(3-ethoxy-4-methoxyphenyl)-2-methylsulfonylethyl]-6-(2-methoxyphenyl)-1H-imidazo[4,5-b]pyridin-2-one

3-[1-(3-ethoxy-4-methoxyphenyl)-2-methylsulfonylethyl]-6-(2-methoxyphenyl)-1H-imidazo[4,5-b]pyridin-2-one (PubChem CID 138710644) has the molecular formula C25H27N3O6S and a molecular weight of 497.57 g/mol. Its IUPAC name is 3-[1-(3-ethoxy-4-methoxyphenyl)-2-methylsulfonylethyl]-6-(2-methoxyphenyl)-1H-imidazo[4,5-b]pyridin-2-one.

Molecular Properties

Compound Name3-[1-(3-ethoxy-4-methoxyphenyl)-2-methylsulfonylethyl]-6-(2-methoxyphenyl)-1H-imidazo[4,5-b]pyridin-2-one
PubChem CID138710644
Molecular FormulaC25H27N3O6S
Molecular Weight497.57 g/mol
Exact Mass497.16
IUPAC Name3-[1-(3-ethoxy-4-methoxyphenyl)-2-methylsulfonylethyl]-6-(2-methoxyphenyl)-1H-imidazo[4,5-b]pyridin-2-one
SMILESCCOc1cc(C(CS(C)(=O)=O)n2c(=O)[nH]c3cc(-c4ccccc4OC)cnc32)ccc1OC
InChIInChI=1S/C25H27N3O6S/c1-5-34-23-13-16(10-11-22(23)33-3)20(15-35(4,30)31)28-24-19(27-25(28)29)12-17(14-26-24)18-8-6-7-9-21(18)32-2/h6-14,20H,5,15H2,1-4H3,(H,27,29)
InChIKeyIWFAPQPEXBFFDA-UHFFFAOYSA-N
XLogP3.44
TPSA112.51 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500497.57
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 3-[1-(3-ethoxy-4-methoxyphenyl)-2-methylsulfonylethyl]-6-(2-methoxyphenyl)-1H-imidazo[4,5-b]pyridin-2-one?
The IUPAC name of 3-[1-(3-ethoxy-4-methoxyphenyl)-2-methylsulfonylethyl]-6-(2-methoxyphenyl)-1H-imidazo[4,5-b]pyridin-2-one (CID 138710644) is 3-[1-(3-ethoxy-4-methoxyphenyl)-2-methylsulfonylethyl]-6-(2-methoxyphenyl)-1H-imidazo[4,5-b]pyridin-2-one.
What is the SMILES notation for 3-[1-(3-ethoxy-4-methoxyphenyl)-2-methylsulfonylethyl]-6-(2-methoxyphenyl)-1H-imidazo[4,5-b]pyridin-2-one?
The canonical SMILES for 3-[1-(3-ethoxy-4-methoxyphenyl)-2-methylsulfonylethyl]-6-(2-methoxyphenyl)-1H-imidazo[4,5-b]pyridin-2-one is CCOc1cc(C(CS(C)(=O)=O)n2c(=O)[nH]c3cc(-c4ccccc4OC)cnc32)ccc1OC.
What is the InChIKey of 3-[1-(3-ethoxy-4-methoxyphenyl)-2-methylsulfonylethyl]-6-(2-methoxyphenyl)-1H-imidazo[4,5-b]pyridin-2-one?
The InChIKey is IWFAPQPEXBFFDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N3O6S/c1-5-34-23-13-16(10-11-22(23)33-3)20(15-35(4,30)31)28-24-19(27-25(28)29)12-17(14-26-24)18-8-6-7-9-21(18)32-2/h6-14,20H,5,15H2,1-4H3,(H,27,29).
What are the key properties of 3-[1-(3-ethoxy-4-methoxyphenyl)-2-methylsulfonylethyl]-6-(2-methoxyphenyl)-1H-imidazo[4,5-b]pyridin-2-one?
3-[1-(3-ethoxy-4-methoxyphenyl)-2-methylsulfonylethyl]-6-(2-methoxyphenyl)-1H-imidazo[4,5-b]pyridin-2-one has a molecular weight of 497.57 g/mol, XLogP of 3.44, 9 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(3-ethoxy-4-methoxyphenyl)-2-methylsulfonylethyl]-6-(2-methoxyphenyl)-1H-imidazo[4,5-b]pyridin-2-one is sourced from PubChem (CID 138710644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).