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

C23H24N4O5S — CID 138710242

IUPAC3-[1-(3-ethoxy-4-methoxyphenyl)-2-methylsulfonylethyl]-6-pyridin-3-yl-1H-imidazo[4,5-b]pyridin-2-one
SMILESCCOc1cc(C(CS(C)(=O)=O)n2c(=O)[nH]c3cc(-c4cccnc4)cnc32)ccc1OC
InChIInChI=1S/C23H24N4O5S/c1-4-32-21-11-15(7-8-20(21)31-2)19(14-33(3,29)30)27-22-18(26-23(27)28)10-17(13-25-22)16-6-5-9-24-12-16/h5-13,19H,4,14H2,1-3H3,(H,26,28)
InChIKeyJBZYXTIDVFEKTE-UHFFFAOYSA-N
MW468.54 g/mol
LogP2.83
Rot. Bonds8

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

3-[1-(3-ethoxy-4-methoxyphenyl)-2-methylsulfonylethyl]-6-pyridin-3-yl-1H-imidazo[4,5-b]pyridin-2-one (PubChem CID 138710242) has the molecular formula C23H24N4O5S and a molecular weight of 468.54 g/mol. Its IUPAC name is 3-[1-(3-ethoxy-4-methoxyphenyl)-2-methylsulfonylethyl]-6-pyridin-3-yl-1H-imidazo[4,5-b]pyridin-2-one.

Molecular Properties

Compound Name3-[1-(3-ethoxy-4-methoxyphenyl)-2-methylsulfonylethyl]-6-pyridin-3-yl-1H-imidazo[4,5-b]pyridin-2-one
PubChem CID138710242
Molecular FormulaC23H24N4O5S
Molecular Weight468.54 g/mol
Exact Mass468.15
IUPAC Name3-[1-(3-ethoxy-4-methoxyphenyl)-2-methylsulfonylethyl]-6-pyridin-3-yl-1H-imidazo[4,5-b]pyridin-2-one
SMILESCCOc1cc(C(CS(C)(=O)=O)n2c(=O)[nH]c3cc(-c4cccnc4)cnc32)ccc1OC
InChIInChI=1S/C23H24N4O5S/c1-4-32-21-11-15(7-8-20(21)31-2)19(14-33(3,29)30)27-22-18(26-23(27)28)10-17(13-25-22)16-6-5-9-24-12-16/h5-13,19H,4,14H2,1-3H3,(H,26,28)
InChIKeyJBZYXTIDVFEKTE-UHFFFAOYSA-N
XLogP2.83
TPSA116.17 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.54
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

3-[(1S)-1-(3-ethoxy-4-methoxyphenyl)-2-methylsulfonylethyl]-6-phenyl-1H-imidazo[4,5-b]pyridin-2-one
CID 138710038
3-[1-(3-ethoxy-4-methoxyphenyl)-2-methylsulfonylethyl]-6-(2-methoxyphenyl)-1H-imidazo[4,5-b]pyridin-2-one
CID 138710644
3-[1-(3-ethoxy-4-methoxyphenyl)-2-methylsulfonylethyl]-6-(2-propan-2-ylphenyl)-1H-imidazo[4,5-b]pyridin-2-one
CID 138710064
6-(2,3-difluorophenyl)-3-[(1S)-1-(3-ethoxy-4-methoxyphenyl)-2-methylsulfonylethyl]-1H-imidazo[4,5-b]pyridin-2-one
CID 138710382
methyl 3-[(1S)-1-(3-ethoxy-4-methoxyphenyl)-2-methylsulfonylethyl]-2-oxo-1H-imidazo[4,5-b]pyridine-6-carboxylate
CID 138710455
3-[(1S)-1-(3-ethoxy-4-methoxyphenyl)-2-methylsulfonylethyl]-6-(3-fluorophenyl)-1H-benzimidazol-2-one
CID 138735583
3-[(1S)-1-(3-ethoxy-4-methoxyphenyl)-2-methylsulfonylethyl]-6-(3-fluoro-2-pyridinyl)-1H-benzimidazol-2-one
CID 138734032
6-bromo-3-[1-(3-ethoxy-4-methoxyphenyl)-2-methylsulfonylethyl]-1H-benzimidazol-2-one
CID 138733638
3-[(1S)-1-(3-ethoxy-4-methoxyphenyl)-2-methylsulfonylethyl]-6-(2-methylphenyl)-1H-benzimidazol-2-one
CID 138733283
3-[(1R)-1-(3-ethoxy-4-methoxyphenyl)-2-methylsulfonylethyl]-6-(2-propan-2-ylphenyl)-1H-benzimidazol-2-one
CID 139306067
3-[1-(6-ethoxy-5-methoxy-2-pyridinyl)-2-methylsulfonylethyl]-6-(4-fluorophenyl)-1H-imidazo[4,5-b]pyridin-2-one
CID 175384166
6-[3-(dimethylamino)pyrazin-2-yl]-3-[(1S)-1-(3-ethoxy-4-methoxyphenyl)-2-methylsulfonylethyl]-1H-benzimidazol-2-one
CID 138733247

Frequently Asked Questions

What is the IUPAC name of 3-[1-(3-ethoxy-4-methoxyphenyl)-2-methylsulfonylethyl]-6-pyridin-3-yl-1H-imidazo[4,5-b]pyridin-2-one?
The IUPAC name of 3-[1-(3-ethoxy-4-methoxyphenyl)-2-methylsulfonylethyl]-6-pyridin-3-yl-1H-imidazo[4,5-b]pyridin-2-one (CID 138710242) is 3-[1-(3-ethoxy-4-methoxyphenyl)-2-methylsulfonylethyl]-6-pyridin-3-yl-1H-imidazo[4,5-b]pyridin-2-one.
What is the SMILES notation for 3-[1-(3-ethoxy-4-methoxyphenyl)-2-methylsulfonylethyl]-6-pyridin-3-yl-1H-imidazo[4,5-b]pyridin-2-one?
The canonical SMILES for 3-[1-(3-ethoxy-4-methoxyphenyl)-2-methylsulfonylethyl]-6-pyridin-3-yl-1H-imidazo[4,5-b]pyridin-2-one is CCOc1cc(C(CS(C)(=O)=O)n2c(=O)[nH]c3cc(-c4cccnc4)cnc32)ccc1OC.
What is the InChIKey of 3-[1-(3-ethoxy-4-methoxyphenyl)-2-methylsulfonylethyl]-6-pyridin-3-yl-1H-imidazo[4,5-b]pyridin-2-one?
The InChIKey is JBZYXTIDVFEKTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O5S/c1-4-32-21-11-15(7-8-20(21)31-2)19(14-33(3,29)30)27-22-18(26-23(27)28)10-17(13-25-22)16-6-5-9-24-12-16/h5-13,19H,4,14H2,1-3H3,(H,26,28).
What are the key properties of 3-[1-(3-ethoxy-4-methoxyphenyl)-2-methylsulfonylethyl]-6-pyridin-3-yl-1H-imidazo[4,5-b]pyridin-2-one?
3-[1-(3-ethoxy-4-methoxyphenyl)-2-methylsulfonylethyl]-6-pyridin-3-yl-1H-imidazo[4,5-b]pyridin-2-one has a molecular weight of 468.54 g/mol, XLogP of 2.83, 8 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-pyridin-3-yl-1H-imidazo[4,5-b]pyridin-2-one is sourced from PubChem (CID 138710242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).