3-[(1S)-1-(6-ethoxy-5-methoxy-2-pyridinyl)-2-methylsulfonylethyl]-7-methyl-6-phenyl-1-(2,2,2-trifluoroethyl)imidazo[4,5-b]pyridin-2-one

C26H27F3N4O5S — CID 156838478

About 3-[(1S)-1-(6-ethoxy-5-methoxy-2-pyridinyl)-2-methylsulfonylethyl]-7-methyl-6-phenyl-1-(2,2,2-trifluoroethyl)imidazo[4,5-b]pyridin-2-one

3-[(1S)-1-(6-ethoxy-5-methoxy-2-pyridinyl)-2-methylsulfonylethyl]-7-methyl-6-phenyl-1-(2,2,2-trifluoroethyl)imidazo[4,5-b]pyridin-2-one (PubChem CID 156838478) has the molecular formula C26H27F3N4O5S and a molecular weight of 564.59 g/mol. Its IUPAC name is 3-[(1S)-1-(6-ethoxy-5-methoxy-2-pyridinyl)-2-methylsulfonylethyl]-7-methyl-6-phenyl-1-(2,2,2-trifluoroethyl)imidazo[4,5-b]pyridin-2-one.

Molecular Properties

• Compound Name: 3-[(1S)-1-(6-ethoxy-5-methoxy-2-pyridinyl)-2-methylsulfonylethyl]-7-methyl-6-phenyl-1-(2,2,2-trifluoroethyl)imidazo[4,5-b]pyridin-2-one
• PubChem CID: 156838478
• Molecular Formula: C26H27F3N4O5S
• Molecular Weight: 564.59 g/mol
• Exact Mass: 564.17
• IUPAC Name: 3-[(1S)-1-(6-ethoxy-5-methoxy-2-pyridinyl)-2-methylsulfonylethyl]-7-methyl-6-phenyl-1-(2,2,2-trifluoroethyl)imidazo[4,5-b]pyridin-2-one
• SMILES: CCOc1nc([C@@H](CS(C)(=O)=O)n2c(=O)n(CC(F)(F)F)c3c(C)c(-c4ccccc4)cnc32)ccc1OC
• InChI: InChI=1S/C26H27F3N4O5S/c1-5-38-24-21(37-3)12-11-19(31-24)20(14-39(4,35)36)33-23-22(32(25(33)34)15-26(27,28)29)16(2)18(13-30-23)17-9-7-6-8-10-17/h6-13,20H,5,14-15H2,1-4H3/t20-/m1/s1
• InChIKey: POOJMOFZWLBYSK-HXUWFJFHSA-N
• XLogP: 4.17
• TPSA: 105.31 Ų
• H-Bond Acceptors: 9
• Rotatable Bonds: 9
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	564.59
LogP ≤ 5	4.17
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

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

The IUPAC name of 3-[(1S)-1-(6-ethoxy-5-methoxy-2-pyridinyl)-2-methylsulfonylethyl]-7-methyl-6-phenyl-1-(2,2,2-trifluoroethyl)imidazo[4,5-b]pyridin-2-one (CID 156838478) is 3-[(1S)-1-(6-ethoxy-5-methoxy-2-pyridinyl)-2-methylsulfonylethyl]-7-methyl-6-phenyl-1-(2,2,2-trifluoroethyl)imidazo[4,5-b]pyridin-2-one.

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

The canonical SMILES for 3-[(1S)-1-(6-ethoxy-5-methoxy-2-pyridinyl)-2-methylsulfonylethyl]-7-methyl-6-phenyl-1-(2,2,2-trifluoroethyl)imidazo[4,5-b]pyridin-2-one is CCOc1nc([C@@H](CS(C)(=O)=O)n2c(=O)n(CC(F)(F)F)c3c(C)c(-c4ccccc4)cnc32)ccc1OC.

What is the InChIKey of 3-[(1S)-1-(6-ethoxy-5-methoxy-2-pyridinyl)-2-methylsulfonylethyl]-7-methyl-6-phenyl-1-(2,2,2-trifluoroethyl)imidazo[4,5-b]pyridin-2-one?

The InChIKey is POOJMOFZWLBYSK-HXUWFJFHSA-N. The full InChI is InChI=1S/C26H27F3N4O5S/c1-5-38-24-21(37-3)12-11-19(31-24)20(14-39(4,35)36)33-23-22(32(25(33)34)15-26(27,28)29)16(2)18(13-30-23)17-9-7-6-8-10-17/h6-13,20H,5,14-15H2,1-4H3/t20-/m1/s1.

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

3-[(1S)-1-(6-ethoxy-5-methoxy-2-pyridinyl)-2-methylsulfonylethyl]-7-methyl-6-phenyl-1-(2,2,2-trifluoroethyl)imidazo[4,5-b]pyridin-2-one has a molecular weight of 564.59 g/mol, XLogP of 4.17, 9 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[(1S)-1-(6-ethoxy-5-methoxy-2-pyridinyl)-2-methylsulfonylethyl]-7-methyl-6-phenyl-1-(2,2,2-trifluoroethyl)imidazo[4,5-b]pyridin-2-one is sourced from PubChem (CID 156838478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).