4-[2-[5-[5-(3,3-difluorocyclobutyl)-1,2,4-oxadiazol-3-yl]-2-methylphenyl]imidazo[1,2-a]pyridin-6-yl]butan-2-one

C24H22F2N4O2 — CID 150925803

About 4-[2-[5-[5-(3,3-difluorocyclobutyl)-1,2,4-oxadiazol-3-yl]-2-methylphenyl]imidazo[1,2-a]pyridin-6-yl]butan-2-one

4-[2-[5-[5-(3,3-difluorocyclobutyl)-1,2,4-oxadiazol-3-yl]-2-methylphenyl]imidazo[1,2-a]pyridin-6-yl]butan-2-one (PubChem CID 150925803) has the molecular formula C24H22F2N4O2 and a molecular weight of 436.46 g/mol. Its IUPAC name is 4-[2-[5-[5-(3,3-difluorocyclobutyl)-1,2,4-oxadiazol-3-yl]-2-methylphenyl]imidazo[1,2-a]pyridin-6-yl]butan-2-one.

Molecular Properties

• Compound Name: 4-[2-[5-[5-(3,3-difluorocyclobutyl)-1,2,4-oxadiazol-3-yl]-2-methylphenyl]imidazo[1,2-a]pyridin-6-yl]butan-2-one
• PubChem CID: 150925803
• Molecular Formula: C24H22F2N4O2
• Molecular Weight: 436.46 g/mol
• Exact Mass: 436.17
• IUPAC Name: 4-[2-[5-[5-(3,3-difluorocyclobutyl)-1,2,4-oxadiazol-3-yl]-2-methylphenyl]imidazo[1,2-a]pyridin-6-yl]butan-2-one
• SMILES: CC(=O)CCc1ccc2nc(-c3cc(-c4noc(C5CC(F)(F)C5)n4)ccc3C)cn2c1
• InChI: InChI=1S/C24H22F2N4O2/c1-14-3-7-17(22-28-23(32-29-22)18-10-24(25,26)11-18)9-19(14)20-13-30-12-16(5-4-15(2)31)6-8-21(30)27-20/h3,6-9,12-13,18H,4-5,10-11H2,1-2H3
• InChIKey: LEZMHDWBRFPXGT-UHFFFAOYSA-N
• XLogP: 5.39
• TPSA: 73.29 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	436.46
LogP ≤ 5	5.39
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 4-[2-[5-[5-(3,3-difluorocyclobutyl)-1,2,4-oxadiazol-3-yl]-2-methylphenyl]imidazo[1,2-a]pyridin-6-yl]butan-2-one?

The IUPAC name of 4-[2-[5-[5-(3,3-difluorocyclobutyl)-1,2,4-oxadiazol-3-yl]-2-methylphenyl]imidazo[1,2-a]pyridin-6-yl]butan-2-one (CID 150925803) is 4-[2-[5-[5-(3,3-difluorocyclobutyl)-1,2,4-oxadiazol-3-yl]-2-methylphenyl]imidazo[1,2-a]pyridin-6-yl]butan-2-one.

What is the SMILES notation for 4-[2-[5-[5-(3,3-difluorocyclobutyl)-1,2,4-oxadiazol-3-yl]-2-methylphenyl]imidazo[1,2-a]pyridin-6-yl]butan-2-one?

The canonical SMILES for 4-[2-[5-[5-(3,3-difluorocyclobutyl)-1,2,4-oxadiazol-3-yl]-2-methylphenyl]imidazo[1,2-a]pyridin-6-yl]butan-2-one is CC(=O)CCc1ccc2nc(-c3cc(-c4noc(C5CC(F)(F)C5)n4)ccc3C)cn2c1.

What is the InChIKey of 4-[2-[5-[5-(3,3-difluorocyclobutyl)-1,2,4-oxadiazol-3-yl]-2-methylphenyl]imidazo[1,2-a]pyridin-6-yl]butan-2-one?

The InChIKey is LEZMHDWBRFPXGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22F2N4O2/c1-14-3-7-17(22-28-23(32-29-22)18-10-24(25,26)11-18)9-19(14)20-13-30-12-16(5-4-15(2)31)6-8-21(30)27-20/h3,6-9,12-13,18H,4-5,10-11H2,1-2H3.

What are the key properties of 4-[2-[5-[5-(3,3-difluorocyclobutyl)-1,2,4-oxadiazol-3-yl]-2-methylphenyl]imidazo[1,2-a]pyridin-6-yl]butan-2-one?

4-[2-[5-[5-(3,3-difluorocyclobutyl)-1,2,4-oxadiazol-3-yl]-2-methylphenyl]imidazo[1,2-a]pyridin-6-yl]butan-2-one has a molecular weight of 436.46 g/mol, XLogP of 5.39, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[2-[5-[5-(3,3-difluorocyclobutyl)-1,2,4-oxadiazol-3-yl]-2-methylphenyl]imidazo[1,2-a]pyridin-6-yl]butan-2-one is sourced from PubChem (CID 150925803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).