3-[3-[[5-[5-(3,3-difluorocyclobutyl)-1,2,4-oxadiazol-3-yl]-2-methylphenyl]carbamoyl]imidazo[1,2-a]pyridin-6-yl]propanoic acid

C24H21F2N5O4 — CID 71282794

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

3-[3-[[5-[5-(3,3-difluorocyclobutyl)-1,2,4-oxadiazol-3-yl]-2-methylphenyl]carbamoyl]imidazo[1,2-a]pyridin-6-yl]propanoic acid (PubChem CID 71282794) has the molecular formula C24H21F2N5O4 and a molecular weight of 481.46 g/mol. Its IUPAC name is 3-[3-[[5-[5-(3,3-difluorocyclobutyl)-1,2,4-oxadiazol-3-yl]-2-methylphenyl]carbamoyl]imidazo[1,2-a]pyridin-6-yl]propanoic acid.

Molecular Properties

• Compound Name: 3-[3-[[5-[5-(3,3-difluorocyclobutyl)-1,2,4-oxadiazol-3-yl]-2-methylphenyl]carbamoyl]imidazo[1,2-a]pyridin-6-yl]propanoic acid
• PubChem CID: 71282794
• Molecular Formula: C24H21F2N5O4
• Molecular Weight: 481.46 g/mol
• Exact Mass: 481.16
• IUPAC Name: 3-[3-[[5-[5-(3,3-difluorocyclobutyl)-1,2,4-oxadiazol-3-yl]-2-methylphenyl]carbamoyl]imidazo[1,2-a]pyridin-6-yl]propanoic acid
• SMILES: Cc1ccc(-c2noc(C3CC(F)(F)C3)n2)cc1NC(=O)c1cnc2ccc(CCC(=O)O)cn12
• InChI: InChI=1S/C24H21F2N5O4/c1-13-2-5-15(21-29-23(35-30-21)16-9-24(25,26)10-16)8-17(13)28-22(34)18-11-27-19-6-3-14(12-31(18)19)4-7-20(32)33/h2-3,5-6,8,11-12,16H,4,7,9-10H2,1H3,(H,28,34)(H,32,33)
• InChIKey: PMEIZRTWPXMYNR-UHFFFAOYSA-N
• XLogP: 4.47
• TPSA: 122.62 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	481.46
LogP ≤ 5	4.47
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of 3-[3-[[5-[5-(3,3-difluorocyclobutyl)-1,2,4-oxadiazol-3-yl]-2-methylphenyl]carbamoyl]imidazo[1,2-a]pyridin-6-yl]propanoic acid (CID 71282794) is 3-[3-[[5-[5-(3,3-difluorocyclobutyl)-1,2,4-oxadiazol-3-yl]-2-methylphenyl]carbamoyl]imidazo[1,2-a]pyridin-6-yl]propanoic acid.

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

The canonical SMILES for 3-[3-[[5-[5-(3,3-difluorocyclobutyl)-1,2,4-oxadiazol-3-yl]-2-methylphenyl]carbamoyl]imidazo[1,2-a]pyridin-6-yl]propanoic acid is Cc1ccc(-c2noc(C3CC(F)(F)C3)n2)cc1NC(=O)c1cnc2ccc(CCC(=O)O)cn12.

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

The InChIKey is PMEIZRTWPXMYNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21F2N5O4/c1-13-2-5-15(21-29-23(35-30-21)16-9-24(25,26)10-16)8-17(13)28-22(34)18-11-27-19-6-3-14(12-31(18)19)4-7-20(32)33/h2-3,5-6,8,11-12,16H,4,7,9-10H2,1H3,(H,28,34)(H,32,33).

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

3-[3-[[5-[5-(3,3-difluorocyclobutyl)-1,2,4-oxadiazol-3-yl]-2-methylphenyl]carbamoyl]imidazo[1,2-a]pyridin-6-yl]propanoic acid has a molecular weight of 481.46 g/mol, XLogP of 4.47, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[3-[[5-[5-(3,3-difluorocyclobutyl)-1,2,4-oxadiazol-3-yl]-2-methylphenyl]carbamoyl]imidazo[1,2-a]pyridin-6-yl]propanoic acid is sourced from PubChem (CID 71282794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).