1-[8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridin-3-yl]-2-[(2R)-2,3-dihydroxypropoxy]ethanone

C21H22F2N2O5 — CID 157458892

About 1-[8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridin-3-yl]-2-[(2R)-2,3-dihydroxypropoxy]ethanone

1-[8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridin-3-yl]-2-[(2R)-2,3-dihydroxypropoxy]ethanone (PubChem CID 157458892) has the molecular formula C21H22F2N2O5 and a molecular weight of 420.41 g/mol. Its IUPAC name is 1-[8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridin-3-yl]-2-[(2R)-2,3-dihydroxypropoxy]ethanone.

Molecular Properties

• Compound Name: 1-[8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridin-3-yl]-2-[(2R)-2,3-dihydroxypropoxy]ethanone
• PubChem CID: 157458892
• Molecular Formula: C21H22F2N2O5
• Molecular Weight: 420.41 g/mol
• Exact Mass: 420.15
• IUPAC Name: 1-[8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridin-3-yl]-2-[(2R)-2,3-dihydroxypropoxy]ethanone
• SMILES: Cc1cc(OCc2c(F)cccc2F)c2nc(C)c(C(=O)COC[C@H](O)CO)n2c1
• InChI: InChI=1S/C21H22F2N2O5/c1-12-6-19(30-10-15-16(22)4-3-5-17(15)23)21-24-13(2)20(25(21)7-12)18(28)11-29-9-14(27)8-26/h3-7,14,26-27H,8-11H2,1-2H3/t14-/m1/s1
• InChIKey: BTRNOLOIXLYWBN-CQSZACIVSA-N
• XLogP: 2.36
• TPSA: 93.29 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 9
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	420.41
LogP ≤ 5	2.36
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]-2,6-dimethylimidazo[1,2-a]pyridin-3-yl]-2-[(2R)-2,3-dihydroxypropoxy]ethanone?

The IUPAC name of 1-[8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridin-3-yl]-2-[(2R)-2,3-dihydroxypropoxy]ethanone (CID 157458892) is 1-[8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridin-3-yl]-2-[(2R)-2,3-dihydroxypropoxy]ethanone.

What is the SMILES notation for 1-[8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridin-3-yl]-2-[(2R)-2,3-dihydroxypropoxy]ethanone?

The canonical SMILES for 1-[8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridin-3-yl]-2-[(2R)-2,3-dihydroxypropoxy]ethanone is Cc1cc(OCc2c(F)cccc2F)c2nc(C)c(C(=O)COC[C@H](O)CO)n2c1.

What is the InChIKey of 1-[8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridin-3-yl]-2-[(2R)-2,3-dihydroxypropoxy]ethanone?

The InChIKey is BTRNOLOIXLYWBN-CQSZACIVSA-N. The full InChI is InChI=1S/C21H22F2N2O5/c1-12-6-19(30-10-15-16(22)4-3-5-17(15)23)21-24-13(2)20(25(21)7-12)18(28)11-29-9-14(27)8-26/h3-7,14,26-27H,8-11H2,1-2H3/t14-/m1/s1.

What are the key properties of 1-[8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridin-3-yl]-2-[(2R)-2,3-dihydroxypropoxy]ethanone?

1-[8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridin-3-yl]-2-[(2R)-2,3-dihydroxypropoxy]ethanone has a molecular weight of 420.41 g/mol, XLogP of 2.36, 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]-2,6-dimethylimidazo[1,2-a]pyridin-3-yl]-2-[(2R)-2,3-dihydroxypropoxy]ethanone is sourced from PubChem (CID 157458892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).