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

C24H25FN4O5S — CID 156838508

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

3-[(1S)-1-(6-ethoxy-5-methoxy-2-pyridinyl)-2-methylsulfonylethyl]-6-(3-fluoro-2-methylphenyl)-1H-imidazo[4,5-b]pyridin-2-one (PubChem CID 156838508) has the molecular formula C24H25FN4O5S and a molecular weight of 500.55 g/mol. Its IUPAC name is 3-[(1S)-1-(6-ethoxy-5-methoxy-2-pyridinyl)-2-methylsulfonylethyl]-6-(3-fluoro-2-methylphenyl)-1H-imidazo[4,5-b]pyridin-2-one.

Molecular Properties

• Compound Name: 3-[(1S)-1-(6-ethoxy-5-methoxy-2-pyridinyl)-2-methylsulfonylethyl]-6-(3-fluoro-2-methylphenyl)-1H-imidazo[4,5-b]pyridin-2-one
• PubChem CID: 156838508
• Molecular Formula: C24H25FN4O5S
• Molecular Weight: 500.55 g/mol
• Exact Mass: 500.15
• IUPAC Name: 3-[(1S)-1-(6-ethoxy-5-methoxy-2-pyridinyl)-2-methylsulfonylethyl]-6-(3-fluoro-2-methylphenyl)-1H-imidazo[4,5-b]pyridin-2-one
• SMILES: CCOc1nc([C@@H](CS(C)(=O)=O)n2c(=O)[nH]c3cc(-c4cccc(F)c4C)cnc32)ccc1OC
• InChI: InChI=1S/C24H25FN4O5S/c1-5-34-23-21(33-3)10-9-18(27-23)20(13-35(4,31)32)29-22-19(28-24(29)30)11-15(12-26-22)16-7-6-8-17(25)14(16)2/h6-12,20H,5,13H2,1-4H3,(H,28,30)/t20-/m1/s1
• InChIKey: MRWZJPVUUHCPTQ-HXUWFJFHSA-N
• XLogP: 3.28
• TPSA: 116.17 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 8
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	500.55
LogP ≤ 5	3.28
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 3-[(1S)-1-(6-ethoxy-5-methoxy-2-pyridinyl)-2-methylsulfonylethyl]-6-(3-fluoro-2-methylphenyl)-1H-imidazo[4,5-b]pyridin-2-one?

The IUPAC name of 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) is 3-[(1S)-1-(6-ethoxy-5-methoxy-2-pyridinyl)-2-methylsulfonylethyl]-6-(3-fluoro-2-methylphenyl)-1H-imidazo[4,5-b]pyridin-2-one.

What is the SMILES notation for 3-[(1S)-1-(6-ethoxy-5-methoxy-2-pyridinyl)-2-methylsulfonylethyl]-6-(3-fluoro-2-methylphenyl)-1H-imidazo[4,5-b]pyridin-2-one?

The canonical SMILES for 3-[(1S)-1-(6-ethoxy-5-methoxy-2-pyridinyl)-2-methylsulfonylethyl]-6-(3-fluoro-2-methylphenyl)-1H-imidazo[4,5-b]pyridin-2-one is CCOc1nc([C@@H](CS(C)(=O)=O)n2c(=O)[nH]c3cc(-c4cccc(F)c4C)cnc32)ccc1OC.

What is the InChIKey of 3-[(1S)-1-(6-ethoxy-5-methoxy-2-pyridinyl)-2-methylsulfonylethyl]-6-(3-fluoro-2-methylphenyl)-1H-imidazo[4,5-b]pyridin-2-one?

The InChIKey is MRWZJPVUUHCPTQ-HXUWFJFHSA-N. The full InChI is InChI=1S/C24H25FN4O5S/c1-5-34-23-21(33-3)10-9-18(27-23)20(13-35(4,31)32)29-22-19(28-24(29)30)11-15(12-26-22)16-7-6-8-17(25)14(16)2/h6-12,20H,5,13H2,1-4H3,(H,28,30)/t20-/m1/s1.

What are the key properties of 3-[(1S)-1-(6-ethoxy-5-methoxy-2-pyridinyl)-2-methylsulfonylethyl]-6-(3-fluoro-2-methylphenyl)-1H-imidazo[4,5-b]pyridin-2-one?

3-[(1S)-1-(6-ethoxy-5-methoxy-2-pyridinyl)-2-methylsulfonylethyl]-6-(3-fluoro-2-methylphenyl)-1H-imidazo[4,5-b]pyridin-2-one has a molecular weight of 500.55 g/mol, XLogP of 3.28, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[(1S)-1-(6-ethoxy-5-methoxy-2-pyridinyl)-2-methylsulfonylethyl]-6-(3-fluoro-2-methylphenyl)-1H-imidazo[4,5-b]pyridin-2-one is sourced from PubChem (CID 156838508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).