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

C23H23FN4O5S — CID 175384166

IUPAC3-[1-(6-ethoxy-5-methoxy-2-pyridinyl)-2-methylsulfonylethyl]-6-(4-fluorophenyl)-1H-imidazo[4,5-b]pyridin-2-one
SMILESCCOc1nc(C(CS(C)(=O)=O)n2c(=O)[nH]c3cc(-c4ccc(F)cc4)cnc32)ccc1OC
InChIInChI=1S/C23H23FN4O5S/c1-4-33-22-20(32-2)10-9-17(26-22)19(13-34(3,30)31)28-21-18(27-23(28)29)11-15(12-25-21)14-5-7-16(24)8-6-14/h5-12,19H,4,13H2,1-3H3,(H,27,29)
InChIKeyZXDGMEODEOXOLQ-UHFFFAOYSA-N
MW486.53 g/mol
LogP2.97
Rot. Bonds8

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

3-[1-(6-ethoxy-5-methoxy-2-pyridinyl)-2-methylsulfonylethyl]-6-(4-fluorophenyl)-1H-imidazo[4,5-b]pyridin-2-one (PubChem CID 175384166) has the molecular formula C23H23FN4O5S and a molecular weight of 486.53 g/mol. Its IUPAC name is 3-[1-(6-ethoxy-5-methoxy-2-pyridinyl)-2-methylsulfonylethyl]-6-(4-fluorophenyl)-1H-imidazo[4,5-b]pyridin-2-one.

Molecular Properties

Compound Name3-[1-(6-ethoxy-5-methoxy-2-pyridinyl)-2-methylsulfonylethyl]-6-(4-fluorophenyl)-1H-imidazo[4,5-b]pyridin-2-one
PubChem CID175384166
Molecular FormulaC23H23FN4O5S
Molecular Weight486.53 g/mol
Exact Mass486.14
IUPAC Name3-[1-(6-ethoxy-5-methoxy-2-pyridinyl)-2-methylsulfonylethyl]-6-(4-fluorophenyl)-1H-imidazo[4,5-b]pyridin-2-one
SMILESCCOc1nc(C(CS(C)(=O)=O)n2c(=O)[nH]c3cc(-c4ccc(F)cc4)cnc32)ccc1OC
InChIInChI=1S/C23H23FN4O5S/c1-4-33-22-20(32-2)10-9-17(26-22)19(13-34(3,30)31)28-21-18(27-23(28)29)11-15(12-25-21)14-5-7-16(24)8-6-14/h5-12,19H,4,13H2,1-3H3,(H,27,29)
InChIKeyZXDGMEODEOXOLQ-UHFFFAOYSA-N
XLogP2.97
TPSA116.17 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.53
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

3-[(1S)-1-(6-ethoxy-5-methoxy-2-pyridinyl)-2-methylsulfonylethyl]-6-(3-fluoro-2-methylphenyl)-1H-imidazo[4,5-b]pyridin-2-one
CID 156838508
3-[(1S)-1-(6-ethoxy-5-methoxy-2-pyridinyl)-2-methylsulfonylethyl]-6-(4-fluoro-2-methoxyphenyl)-1H-benzimidazol-2-one
CID 156838429
3-[(1S)-1-(6-ethoxy-5-methoxy-2-pyridinyl)-2-methylsulfonylethyl]-6-(2-fluoro-3-methoxyphenyl)-1H-benzimidazol-2-one
CID 156838539
3-[(1S)-1-(6-ethoxy-5-methoxy-2-pyridinyl)-2-methylsulfonylethyl]-6-(2-fluoro-5-methoxyphenyl)-1H-benzimidazol-2-one
CID 156838395
3-[(1S)-1-(6-ethoxy-5-methoxy-2-pyridinyl)-2-methylsulfonylethyl]-6-(2-methylphenyl)-1H-benzimidazol-2-one
CID 156838574
3-[(1S)-1-(3-ethoxy-4-methoxyphenyl)-2-methylsulfonylethyl]-6-phenyl-1H-imidazo[4,5-b]pyridin-2-one
CID 138710038
1-[(1S)-1-(6-ethoxy-5-methoxy-2-pyridinyl)-2-methylsulfonylethyl]-5-(5-fluoro-2-methoxyphenyl)-3-methylbenzimidazol-2-one
CID 156838550
5-(2,5-difluorophenyl)-1-[(1S)-1-(6-ethoxy-5-methoxy-2-pyridinyl)-2-methylsulfonylethyl]-3-methylbenzimidazol-2-one
CID 156838420
1-(2,2-difluoroethyl)-3-[(1S)-1-(6-ethoxy-5-methoxy-2-pyridinyl)-2-methylsulfonylethyl]-6-(4-fluorophenyl)-7-methylimidazo[4,5-b]pyridin-2-one
CID 156838403
3-[(1R)-1-(6-ethoxy-5-methoxy-2-pyridinyl)-2-methylsulfonylethyl]-7-methyl-6-(2-methylphenyl)-1H-imidazo[4,5-b]pyridin-2-one
CID 166172158
3-[1-(3-ethoxy-4-methoxyphenyl)-2-methylsulfonylethyl]-6-(2-methoxyphenyl)-1H-imidazo[4,5-b]pyridin-2-one
CID 138710644
6-(2,6-dimethylphenyl)-3-[1-(6-ethoxy-5-methoxy-2-pyridinyl)-2-methylsulfonylethyl]-7-methyl-1H-imidazo[4,5-b]pyridin-2-one
CID 175384154

Frequently Asked Questions

What is the IUPAC name of 3-[1-(6-ethoxy-5-methoxy-2-pyridinyl)-2-methylsulfonylethyl]-6-(4-fluorophenyl)-1H-imidazo[4,5-b]pyridin-2-one?
The IUPAC name of 3-[1-(6-ethoxy-5-methoxy-2-pyridinyl)-2-methylsulfonylethyl]-6-(4-fluorophenyl)-1H-imidazo[4,5-b]pyridin-2-one (CID 175384166) is 3-[1-(6-ethoxy-5-methoxy-2-pyridinyl)-2-methylsulfonylethyl]-6-(4-fluorophenyl)-1H-imidazo[4,5-b]pyridin-2-one.
What is the SMILES notation for 3-[1-(6-ethoxy-5-methoxy-2-pyridinyl)-2-methylsulfonylethyl]-6-(4-fluorophenyl)-1H-imidazo[4,5-b]pyridin-2-one?
The canonical SMILES for 3-[1-(6-ethoxy-5-methoxy-2-pyridinyl)-2-methylsulfonylethyl]-6-(4-fluorophenyl)-1H-imidazo[4,5-b]pyridin-2-one is CCOc1nc(C(CS(C)(=O)=O)n2c(=O)[nH]c3cc(-c4ccc(F)cc4)cnc32)ccc1OC.
What is the InChIKey of 3-[1-(6-ethoxy-5-methoxy-2-pyridinyl)-2-methylsulfonylethyl]-6-(4-fluorophenyl)-1H-imidazo[4,5-b]pyridin-2-one?
The InChIKey is ZXDGMEODEOXOLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23FN4O5S/c1-4-33-22-20(32-2)10-9-17(26-22)19(13-34(3,30)31)28-21-18(27-23(28)29)11-15(12-25-21)14-5-7-16(24)8-6-14/h5-12,19H,4,13H2,1-3H3,(H,27,29).
What are the key properties of 3-[1-(6-ethoxy-5-methoxy-2-pyridinyl)-2-methylsulfonylethyl]-6-(4-fluorophenyl)-1H-imidazo[4,5-b]pyridin-2-one?
3-[1-(6-ethoxy-5-methoxy-2-pyridinyl)-2-methylsulfonylethyl]-6-(4-fluorophenyl)-1H-imidazo[4,5-b]pyridin-2-one has a molecular weight of 486.53 g/mol, XLogP of 2.97, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(6-ethoxy-5-methoxy-2-pyridinyl)-2-methylsulfonylethyl]-6-(4-fluorophenyl)-1H-imidazo[4,5-b]pyridin-2-one is sourced from PubChem (CID 175384166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).