1-[8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridin-3-yl]-4-hydroxy-3-(4-methylsulfonylphenyl)butan-1-one

C26H24F2N2O5S — CID 158763165

About 1-[8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridin-3-yl]-4-hydroxy-3-(4-methylsulfonylphenyl)butan-1-one

1-[8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridin-3-yl]-4-hydroxy-3-(4-methylsulfonylphenyl)butan-1-one (PubChem CID 158763165) has the molecular formula C26H24F2N2O5S and a molecular weight of 514.55 g/mol. Its IUPAC name is 1-[8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridin-3-yl]-4-hydroxy-3-(4-methylsulfonylphenyl)butan-1-one.

Molecular Properties

• Compound Name: 1-[8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridin-3-yl]-4-hydroxy-3-(4-methylsulfonylphenyl)butan-1-one
• PubChem CID: 158763165
• Molecular Formula: C26H24F2N2O5S
• Molecular Weight: 514.55 g/mol
• Exact Mass: 514.14
• IUPAC Name: 1-[8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridin-3-yl]-4-hydroxy-3-(4-methylsulfonylphenyl)butan-1-one
• SMILES: Cc1nc2c(OCc3c(F)cccc3F)cccn2c1C(=O)CC(CO)c1ccc(S(C)(=O)=O)cc1
• InChI: InChI=1S/C26H24F2N2O5S/c1-16-25(23(32)13-18(14-31)17-8-10-19(11-9-17)36(2,33)34)30-12-4-7-24(26(30)29-16)35-15-20-21(27)5-3-6-22(20)28/h3-12,18,31H,13-15H2,1-2H3
• InChIKey: IOXRIRFNYRLDAN-UHFFFAOYSA-N
• XLogP: 4.25
• TPSA: 97.97 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 9
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	514.55
LogP ≤ 5	4.25
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 1-[8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridin-3-yl]-4-hydroxy-3-(4-methylsulfonylphenyl)butan-1-one?

The IUPAC name of 1-[8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridin-3-yl]-4-hydroxy-3-(4-methylsulfonylphenyl)butan-1-one (CID 158763165) is 1-[8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridin-3-yl]-4-hydroxy-3-(4-methylsulfonylphenyl)butan-1-one.

What is the SMILES notation for 1-[8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridin-3-yl]-4-hydroxy-3-(4-methylsulfonylphenyl)butan-1-one?

The canonical SMILES for 1-[8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridin-3-yl]-4-hydroxy-3-(4-methylsulfonylphenyl)butan-1-one is Cc1nc2c(OCc3c(F)cccc3F)cccn2c1C(=O)CC(CO)c1ccc(S(C)(=O)=O)cc1.

What is the InChIKey of 1-[8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridin-3-yl]-4-hydroxy-3-(4-methylsulfonylphenyl)butan-1-one?

The InChIKey is IOXRIRFNYRLDAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24F2N2O5S/c1-16-25(23(32)13-18(14-31)17-8-10-19(11-9-17)36(2,33)34)30-12-4-7-24(26(30)29-16)35-15-20-21(27)5-3-6-22(20)28/h3-12,18,31H,13-15H2,1-2H3.

What are the key properties of 1-[8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridin-3-yl]-4-hydroxy-3-(4-methylsulfonylphenyl)butan-1-one?

1-[8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridin-3-yl]-4-hydroxy-3-(4-methylsulfonylphenyl)butan-1-one has a molecular weight of 514.55 g/mol, XLogP of 4.25, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridin-3-yl]-4-hydroxy-3-(4-methylsulfonylphenyl)butan-1-one is sourced from PubChem (CID 158763165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).