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

C25H23F2N3O4 — CID 146970344

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

1-[8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridin-3-yl]-4-hydroxy-3-(hydroxymethyl)-3-pyridin-3-ylbutan-1-one (PubChem CID 146970344) has the molecular formula C25H23F2N3O4 and a molecular weight of 467.47 g/mol. Its IUPAC name is 1-[8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridin-3-yl]-4-hydroxy-3-(hydroxymethyl)-3-pyridin-3-ylbutan-1-one.

Molecular Properties

• Compound Name: 1-[8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridin-3-yl]-4-hydroxy-3-(hydroxymethyl)-3-pyridin-3-ylbutan-1-one
• PubChem CID: 146970344
• Molecular Formula: C25H23F2N3O4
• Molecular Weight: 467.47 g/mol
• Exact Mass: 467.17
• IUPAC Name: 1-[8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridin-3-yl]-4-hydroxy-3-(hydroxymethyl)-3-pyridin-3-ylbutan-1-one
• SMILES: Cc1nc2c(OCc3c(F)cccc3F)cccn2c1C(=O)CC(CO)(CO)c1cccnc1
• InChI: InChI=1S/C25H23F2N3O4/c1-16-23(21(33)11-25(14-31,15-32)17-5-3-9-28-12-17)30-10-4-8-22(24(30)29-16)34-13-18-19(26)6-2-7-20(18)27/h2-10,12,31-32H,11,13-15H2,1H3
• InChIKey: AMHKMLVZXBDVHE-UHFFFAOYSA-N
• XLogP: 3.39
• TPSA: 96.95 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 9
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	467.47
LogP ≤ 5	3.39
H-Bond Donors ≤ 5	2
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-(hydroxymethyl)-3-pyridin-3-ylbutan-1-one?

The IUPAC name of 1-[8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridin-3-yl]-4-hydroxy-3-(hydroxymethyl)-3-pyridin-3-ylbutan-1-one (CID 146970344) is 1-[8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridin-3-yl]-4-hydroxy-3-(hydroxymethyl)-3-pyridin-3-ylbutan-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-(hydroxymethyl)-3-pyridin-3-ylbutan-1-one?

The canonical SMILES for 1-[8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridin-3-yl]-4-hydroxy-3-(hydroxymethyl)-3-pyridin-3-ylbutan-1-one is Cc1nc2c(OCc3c(F)cccc3F)cccn2c1C(=O)CC(CO)(CO)c1cccnc1.

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

The InChIKey is AMHKMLVZXBDVHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23F2N3O4/c1-16-23(21(33)11-25(14-31,15-32)17-5-3-9-28-12-17)30-10-4-8-22(24(30)29-16)34-13-18-19(26)6-2-7-20(18)27/h2-10,12,31-32H,11,13-15H2,1H3.

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

1-[8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridin-3-yl]-4-hydroxy-3-(hydroxymethyl)-3-pyridin-3-ylbutan-1-one has a molecular weight of 467.47 g/mol, XLogP of 3.39, 9 rotatable bonds, 2 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-(hydroxymethyl)-3-pyridin-3-ylbutan-1-one is sourced from PubChem (CID 146970344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).