3-[4-[5-[8-bromo-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-1,2,4-oxadiazol-3-yl]-3-chlorophenyl]butanoic acid

C20H13BrClF3N4O3 — CID 59377173

IUPAC3-[4-[5-[8-bromo-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-1,2,4-oxadiazol-3-yl]-3-chlorophenyl]butanoic acid
SMILESCC(CC(=O)O)c1ccc(-c2noc(-c3cn4cc(C(F)(F)F)cc(Br)c4n3)n2)c(Cl)c1
InChIInChI=1S/C20H13BrClF3N4O3/c1-9(4-16(30)31)10-2-3-12(14(22)5-10)17-27-19(32-28-17)15-8-29-7-11(20(23,24)25)6-13(21)18(29)26-15/h2-3,5-9H,4H2,1H3,(H,30,31)
InChIKeyZGGMDNFZNWOXBE-UHFFFAOYSA-N
MW529.70 g/mol
LogP6.06
Rot. Bonds5

About 3-[4-[5-[8-bromo-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-1,2,4-oxadiazol-3-yl]-3-chlorophenyl]butanoic acid

3-[4-[5-[8-bromo-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-1,2,4-oxadiazol-3-yl]-3-chlorophenyl]butanoic acid (PubChem CID 59377173) has the molecular formula C20H13BrClF3N4O3 and a molecular weight of 529.70 g/mol. Its IUPAC name is 3-[4-[5-[8-bromo-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-1,2,4-oxadiazol-3-yl]-3-chlorophenyl]butanoic acid.

Molecular Properties

Compound Name3-[4-[5-[8-bromo-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-1,2,4-oxadiazol-3-yl]-3-chlorophenyl]butanoic acid
PubChem CID59377173
Molecular FormulaC20H13BrClF3N4O3
Molecular Weight529.70 g/mol
Exact Mass527.98
IUPAC Name3-[4-[5-[8-bromo-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-1,2,4-oxadiazol-3-yl]-3-chlorophenyl]butanoic acid
SMILESCC(CC(=O)O)c1ccc(-c2noc(-c3cn4cc(C(F)(F)F)cc(Br)c4n3)n2)c(Cl)c1
InChIInChI=1S/C20H13BrClF3N4O3/c1-9(4-16(30)31)10-2-3-12(14(22)5-10)17-27-19(32-28-17)15-8-29-7-11(20(23,24)25)6-13(21)18(29)26-15/h2-3,5-9H,4H2,1H3,(H,30,31)
InChIKeyZGGMDNFZNWOXBE-UHFFFAOYSA-N
XLogP6.06
TPSA93.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500529.70
LogP ≤ 56.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-[4-[5-[8-bromo-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-1,2,4-oxadiazol-3-yl]-3-chlorophenyl]butanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[4-[5-[8-bromo-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-1,2,4-oxadiazol-3-yl]-3-chlorophenyl]butanoic acid?
The IUPAC name of 3-[4-[5-[8-bromo-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-1,2,4-oxadiazol-3-yl]-3-chlorophenyl]butanoic acid (CID 59377173) is 3-[4-[5-[8-bromo-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-1,2,4-oxadiazol-3-yl]-3-chlorophenyl]butanoic acid.
What is the SMILES notation for 3-[4-[5-[8-bromo-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-1,2,4-oxadiazol-3-yl]-3-chlorophenyl]butanoic acid?
The canonical SMILES for 3-[4-[5-[8-bromo-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-1,2,4-oxadiazol-3-yl]-3-chlorophenyl]butanoic acid is CC(CC(=O)O)c1ccc(-c2noc(-c3cn4cc(C(F)(F)F)cc(Br)c4n3)n2)c(Cl)c1.
What is the InChIKey of 3-[4-[5-[8-bromo-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-1,2,4-oxadiazol-3-yl]-3-chlorophenyl]butanoic acid?
The InChIKey is ZGGMDNFZNWOXBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13BrClF3N4O3/c1-9(4-16(30)31)10-2-3-12(14(22)5-10)17-27-19(32-28-17)15-8-29-7-11(20(23,24)25)6-13(21)18(29)26-15/h2-3,5-9H,4H2,1H3,(H,30,31).
What are the key properties of 3-[4-[5-[8-bromo-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-1,2,4-oxadiazol-3-yl]-3-chlorophenyl]butanoic acid?
3-[4-[5-[8-bromo-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-1,2,4-oxadiazol-3-yl]-3-chlorophenyl]butanoic acid has a molecular weight of 529.70 g/mol, XLogP of 6.06, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[5-[8-bromo-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-1,2,4-oxadiazol-3-yl]-3-chlorophenyl]butanoic acid is sourced from PubChem (CID 59377173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).