4-[8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridin-3-yl]-4-oxobutanenitrile

C20H17F2N3O2 — CID 147595414

About 4-[8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridin-3-yl]-4-oxobutanenitrile

4-[8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridin-3-yl]-4-oxobutanenitrile (PubChem CID 147595414) has the molecular formula C20H17F2N3O2 and a molecular weight of 369.37 g/mol. Its IUPAC name is 4-[8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridin-3-yl]-4-oxobutanenitrile.

Molecular Properties

• Compound Name: 4-[8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridin-3-yl]-4-oxobutanenitrile
• PubChem CID: 147595414
• Molecular Formula: C20H17F2N3O2
• Molecular Weight: 369.37 g/mol
• Exact Mass: 369.13
• IUPAC Name: 4-[8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridin-3-yl]-4-oxobutanenitrile
• SMILES: Cc1cc(OCc2c(F)cccc2F)c2nc(C)c(C(=O)CCC#N)n2c1
• InChI: InChI=1S/C20H17F2N3O2/c1-12-9-18(27-11-14-15(21)5-3-6-16(14)22)20-24-13(2)19(25(20)10-12)17(26)7-4-8-23/h3,5-6,9-10H,4,7,11H2,1-2H3
• InChIKey: FZBWUTWWCYSNIC-UHFFFAOYSA-N
• XLogP: 4.29
• TPSA: 67.39 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	369.37
LogP ≤ 5	4.29
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 4-[8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridin-3-yl]-4-oxobutanenitrile?

The IUPAC name of 4-[8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridin-3-yl]-4-oxobutanenitrile (CID 147595414) is 4-[8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridin-3-yl]-4-oxobutanenitrile.

What is the SMILES notation for 4-[8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridin-3-yl]-4-oxobutanenitrile?

The canonical SMILES for 4-[8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridin-3-yl]-4-oxobutanenitrile is Cc1cc(OCc2c(F)cccc2F)c2nc(C)c(C(=O)CCC#N)n2c1.

What is the InChIKey of 4-[8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridin-3-yl]-4-oxobutanenitrile?

The InChIKey is FZBWUTWWCYSNIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17F2N3O2/c1-12-9-18(27-11-14-15(21)5-3-6-16(14)22)20-24-13(2)19(25(20)10-12)17(26)7-4-8-23/h3,5-6,9-10H,4,7,11H2,1-2H3.

What are the key properties of 4-[8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridin-3-yl]-4-oxobutanenitrile?

4-[8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridin-3-yl]-4-oxobutanenitrile has a molecular weight of 369.37 g/mol, XLogP of 4.29, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridin-3-yl]-4-oxobutanenitrile is sourced from PubChem (CID 147595414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).