3-[1-[5-(difluoromethoxy)-6-ethoxy-2-pyridinyl]-2-methylsulfonylethyl]-7-methyl-6-(2-methylphenyl)-1H-imidazo[4,5-b]pyridin-2-one

C25H26F2N4O5S — CID 175384186

About 3-[1-[5-(difluoromethoxy)-6-ethoxy-2-pyridinyl]-2-methylsulfonylethyl]-7-methyl-6-(2-methylphenyl)-1H-imidazo[4,5-b]pyridin-2-one

3-[1-[5-(difluoromethoxy)-6-ethoxy-2-pyridinyl]-2-methylsulfonylethyl]-7-methyl-6-(2-methylphenyl)-1H-imidazo[4,5-b]pyridin-2-one (PubChem CID 175384186) has the molecular formula C25H26F2N4O5S and a molecular weight of 532.57 g/mol. Its IUPAC name is 3-[1-[5-(difluoromethoxy)-6-ethoxy-2-pyridinyl]-2-methylsulfonylethyl]-7-methyl-6-(2-methylphenyl)-1H-imidazo[4,5-b]pyridin-2-one.

Molecular Properties

• Compound Name: 3-[1-[5-(difluoromethoxy)-6-ethoxy-2-pyridinyl]-2-methylsulfonylethyl]-7-methyl-6-(2-methylphenyl)-1H-imidazo[4,5-b]pyridin-2-one
• PubChem CID: 175384186
• Molecular Formula: C25H26F2N4O5S
• Molecular Weight: 532.57 g/mol
• Exact Mass: 532.16
• IUPAC Name: 3-[1-[5-(difluoromethoxy)-6-ethoxy-2-pyridinyl]-2-methylsulfonylethyl]-7-methyl-6-(2-methylphenyl)-1H-imidazo[4,5-b]pyridin-2-one
• SMILES: CCOc1nc(C(CS(C)(=O)=O)n2c(=O)[nH]c3c(C)c(-c4ccccc4C)cnc32)ccc1OC(F)F
• InChI: InChI=1S/C25H26F2N4O5S/c1-5-35-23-20(36-24(26)27)11-10-18(29-23)19(13-37(4,33)34)31-22-21(30-25(31)32)15(3)17(12-28-22)16-9-7-6-8-14(16)2/h6-12,19,24H,5,13H2,1-4H3,(H,30,32)
• InChIKey: HCNOKOSATZNNAH-UHFFFAOYSA-N
• XLogP: 4.04
• TPSA: 116.17 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 9
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	532.57
LogP ≤ 5	4.04
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 3-[1-[5-(difluoromethoxy)-6-ethoxy-2-pyridinyl]-2-methylsulfonylethyl]-7-methyl-6-(2-methylphenyl)-1H-imidazo[4,5-b]pyridin-2-one?

The IUPAC name of 3-[1-[5-(difluoromethoxy)-6-ethoxy-2-pyridinyl]-2-methylsulfonylethyl]-7-methyl-6-(2-methylphenyl)-1H-imidazo[4,5-b]pyridin-2-one (CID 175384186) is 3-[1-[5-(difluoromethoxy)-6-ethoxy-2-pyridinyl]-2-methylsulfonylethyl]-7-methyl-6-(2-methylphenyl)-1H-imidazo[4,5-b]pyridin-2-one.

What is the SMILES notation for 3-[1-[5-(difluoromethoxy)-6-ethoxy-2-pyridinyl]-2-methylsulfonylethyl]-7-methyl-6-(2-methylphenyl)-1H-imidazo[4,5-b]pyridin-2-one?

The canonical SMILES for 3-[1-[5-(difluoromethoxy)-6-ethoxy-2-pyridinyl]-2-methylsulfonylethyl]-7-methyl-6-(2-methylphenyl)-1H-imidazo[4,5-b]pyridin-2-one is CCOc1nc(C(CS(C)(=O)=O)n2c(=O)[nH]c3c(C)c(-c4ccccc4C)cnc32)ccc1OC(F)F.

What is the InChIKey of 3-[1-[5-(difluoromethoxy)-6-ethoxy-2-pyridinyl]-2-methylsulfonylethyl]-7-methyl-6-(2-methylphenyl)-1H-imidazo[4,5-b]pyridin-2-one?

The InChIKey is HCNOKOSATZNNAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26F2N4O5S/c1-5-35-23-20(36-24(26)27)11-10-18(29-23)19(13-37(4,33)34)31-22-21(30-25(31)32)15(3)17(12-28-22)16-9-7-6-8-14(16)2/h6-12,19,24H,5,13H2,1-4H3,(H,30,32).

What are the key properties of 3-[1-[5-(difluoromethoxy)-6-ethoxy-2-pyridinyl]-2-methylsulfonylethyl]-7-methyl-6-(2-methylphenyl)-1H-imidazo[4,5-b]pyridin-2-one?

3-[1-[5-(difluoromethoxy)-6-ethoxy-2-pyridinyl]-2-methylsulfonylethyl]-7-methyl-6-(2-methylphenyl)-1H-imidazo[4,5-b]pyridin-2-one has a molecular weight of 532.57 g/mol, XLogP of 4.04, 9 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[1-[5-(difluoromethoxy)-6-ethoxy-2-pyridinyl]-2-methylsulfonylethyl]-7-methyl-6-(2-methylphenyl)-1H-imidazo[4,5-b]pyridin-2-one is sourced from PubChem (CID 175384186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).