3-[3-chloro-4-[5-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-1,2,4-oxadiazol-3-yl]phenyl]-2-methylpropanoic acid

C20H13Cl2F3N4O3 — CID 59377203

About 3-[3-chloro-4-[5-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-1,2,4-oxadiazol-3-yl]phenyl]-2-methylpropanoic acid

3-[3-chloro-4-[5-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-1,2,4-oxadiazol-3-yl]phenyl]-2-methylpropanoic acid (PubChem CID 59377203) has the molecular formula C20H13Cl2F3N4O3 and a molecular weight of 485.25 g/mol. Its IUPAC name is 3-[3-chloro-4-[5-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-1,2,4-oxadiazol-3-yl]phenyl]-2-methylpropanoic acid.

Molecular Properties

• Compound Name: 3-[3-chloro-4-[5-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-1,2,4-oxadiazol-3-yl]phenyl]-2-methylpropanoic acid
• PubChem CID: 59377203
• Molecular Formula: C20H13Cl2F3N4O3
• Molecular Weight: 485.25 g/mol
• Exact Mass: 484.03
• IUPAC Name: 3-[3-chloro-4-[5-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-1,2,4-oxadiazol-3-yl]phenyl]-2-methylpropanoic acid
• SMILES: CC(Cc1ccc(-c2noc(-c3cn4cc(C(F)(F)F)cc(Cl)c4n3)n2)c(Cl)c1)C(=O)O
• InChI: InChI=1S/C20H13Cl2F3N4O3/c1-9(19(30)31)4-10-2-3-12(13(21)5-10)16-27-18(32-28-16)15-8-29-7-11(20(23,24)25)6-14(22)17(29)26-15/h2-3,5-9H,4H2,1H3,(H,30,31)
• InChIKey: LVLVVEPJXQVEJX-UHFFFAOYSA-N
• XLogP: 5.64
• TPSA: 93.52 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	485.25
LogP ≤ 5	5.64
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 3-[3-chloro-4-[5-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-1,2,4-oxadiazol-3-yl]phenyl]-2-methylpropanoic acid?

The IUPAC name of 3-[3-chloro-4-[5-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-1,2,4-oxadiazol-3-yl]phenyl]-2-methylpropanoic acid (CID 59377203) is 3-[3-chloro-4-[5-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-1,2,4-oxadiazol-3-yl]phenyl]-2-methylpropanoic acid.

What is the SMILES notation for 3-[3-chloro-4-[5-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-1,2,4-oxadiazol-3-yl]phenyl]-2-methylpropanoic acid?

The canonical SMILES for 3-[3-chloro-4-[5-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-1,2,4-oxadiazol-3-yl]phenyl]-2-methylpropanoic acid is CC(Cc1ccc(-c2noc(-c3cn4cc(C(F)(F)F)cc(Cl)c4n3)n2)c(Cl)c1)C(=O)O.

What is the InChIKey of 3-[3-chloro-4-[5-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-1,2,4-oxadiazol-3-yl]phenyl]-2-methylpropanoic acid?

The InChIKey is LVLVVEPJXQVEJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13Cl2F3N4O3/c1-9(19(30)31)4-10-2-3-12(13(21)5-10)16-27-18(32-28-16)15-8-29-7-11(20(23,24)25)6-14(22)17(29)26-15/h2-3,5-9H,4H2,1H3,(H,30,31).

What are the key properties of 3-[3-chloro-4-[5-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-1,2,4-oxadiazol-3-yl]phenyl]-2-methylpropanoic acid?

3-[3-chloro-4-[5-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-1,2,4-oxadiazol-3-yl]phenyl]-2-methylpropanoic acid has a molecular weight of 485.25 g/mol, XLogP of 5.64, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[3-chloro-4-[5-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-1,2,4-oxadiazol-3-yl]phenyl]-2-methylpropanoic acid is sourced from PubChem (CID 59377203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).