3-[4-[5-(6-bromo-8-chloroimidazo[1,2-a]pyridin-2-yl)-1,2,4-oxadiazol-3-yl]-5-chloro-2-fluorophenyl]propanoic acid

C18H10BrCl2FN4O3 — CID 59377387

IUPAC3-[4-[5-(6-bromo-8-chloroimidazo[1,2-a]pyridin-2-yl)-1,2,4-oxadiazol-3-yl]-5-chloro-2-fluorophenyl]propanoic acid
SMILESO=C(O)CCc1cc(Cl)c(-c2noc(-c3cn4cc(Br)cc(Cl)c4n3)n2)cc1F
InChIInChI=1S/C18H10BrCl2FN4O3/c19-9-4-12(21)17-23-14(7-26(17)6-9)18-24-16(25-29-18)10-5-13(22)8(3-11(10)20)1-2-15(27)28/h3-7H,1-2H2,(H,27,28)
InChIKeyURQLKLNKSIEZKV-UHFFFAOYSA-N
MW500.11 g/mol
LogP5.28
Rot. Bonds5

About 3-[4-[5-(6-bromo-8-chloroimidazo[1,2-a]pyridin-2-yl)-1,2,4-oxadiazol-3-yl]-5-chloro-2-fluorophenyl]propanoic acid

3-[4-[5-(6-bromo-8-chloroimidazo[1,2-a]pyridin-2-yl)-1,2,4-oxadiazol-3-yl]-5-chloro-2-fluorophenyl]propanoic acid (PubChem CID 59377387) has the molecular formula C18H10BrCl2FN4O3 and a molecular weight of 500.11 g/mol. Its IUPAC name is 3-[4-[5-(6-bromo-8-chloroimidazo[1,2-a]pyridin-2-yl)-1,2,4-oxadiazol-3-yl]-5-chloro-2-fluorophenyl]propanoic acid.

Molecular Properties

Compound Name3-[4-[5-(6-bromo-8-chloroimidazo[1,2-a]pyridin-2-yl)-1,2,4-oxadiazol-3-yl]-5-chloro-2-fluorophenyl]propanoic acid
PubChem CID59377387
Molecular FormulaC18H10BrCl2FN4O3
Molecular Weight500.11 g/mol
Exact Mass497.93
IUPAC Name3-[4-[5-(6-bromo-8-chloroimidazo[1,2-a]pyridin-2-yl)-1,2,4-oxadiazol-3-yl]-5-chloro-2-fluorophenyl]propanoic acid
SMILESO=C(O)CCc1cc(Cl)c(-c2noc(-c3cn4cc(Br)cc(Cl)c4n3)n2)cc1F
InChIInChI=1S/C18H10BrCl2FN4O3/c19-9-4-12(21)17-23-14(7-26(17)6-9)18-24-16(25-29-18)10-5-13(22)8(3-11(10)20)1-2-15(27)28/h3-7H,1-2H2,(H,27,28)
InChIKeyURQLKLNKSIEZKV-UHFFFAOYSA-N
XLogP5.28
TPSA93.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500500.11
LogP ≤ 55.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-[5-chloro-4-[5-(6,8-dichloro-7-methylimidazo[1,2-a]pyridin-2-yl)-1,2,4-oxadiazol-3-yl]-2-fluorophenyl]propanoic acid
CID 59377352
3-[5-chloro-4-[5-(5,6-dimethylimidazo[1,2-a]pyridin-2-yl)-1,2,4-oxadiazol-3-yl]-2-fluorophenyl]propanoic acid
CID 90821088
3-[5-chloro-2-fluoro-4-[5-(6-iodo-5-methylimidazo[1,2-a]pyridin-2-yl)-1,2,4-oxadiazol-3-yl]phenyl]propanoic acid
CID 57461209
3-[5-chloro-4-[5-[8-chloro-6-(1,1-difluoroethyl)imidazo[1,2-a]pyridin-2-yl]-1,3,4-oxadiazol-2-yl]-2-fluorophenyl]propanoic acid
CID 70881367
3-[2-chloro-4-[5-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-1,2,4-oxadiazol-3-yl]-5-methylphenyl]propanoic acid
CID 59377252
tert-butyl 3-[5-chloro-4-[5-(8-chloro-6-iodoimidazo[1,2-a]pyridin-2-yl)-1,2,4-oxadiazol-3-yl]-2-fluorophenyl]propanoate;tert-butyl 3-[5-chloro-2-fluoro-4-[(Z)-N'-hydroxycarbamimidoyl]phenyl]propanoate;3-[5-chloro-4-[5-(8-chloro-6-iodoimidazo[1,2-a]pyridin-2-yl)-1,2,4-oxadiazol-3-yl]-2-fluorophenyl]propanoic acid;8-chloro-6-iodoimidazo[1,2-a]pyridine-2-carboxylic acid
CID 172937161
3-[2-chloro-4-[5-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-1,2,4-oxadiazol-3-yl]phenyl]propanoic acid
CID 46235452
3-[4-[5-[8-bromo-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-1,2,4-oxadiazol-3-yl]-2-chloro-5-methylphenyl]propanoic acid
CID 59377013
3-[2-chloro-4-[3-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-1,2,4-oxadiazol-5-yl]phenyl]propanoic acid
CID 59377371
3-[4-[5-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-1,2,4-oxadiazol-3-yl]phenyl]propanoic acid
CID 59377374
4-[2,5-dichloro-4-[5-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-1,2,4-oxadiazol-3-yl]phenoxy]-3-oxobutanoic acid
CID 59377079
2-[3-[5-chloro-4-[5-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-1,2,4-oxadiazol-3-yl]-2-fluorophenoxy]pyrrolidin-1-yl]acetic acid
CID 59377175

Frequently Asked Questions

What is the IUPAC name of 3-[4-[5-(6-bromo-8-chloroimidazo[1,2-a]pyridin-2-yl)-1,2,4-oxadiazol-3-yl]-5-chloro-2-fluorophenyl]propanoic acid?
The IUPAC name of 3-[4-[5-(6-bromo-8-chloroimidazo[1,2-a]pyridin-2-yl)-1,2,4-oxadiazol-3-yl]-5-chloro-2-fluorophenyl]propanoic acid (CID 59377387) is 3-[4-[5-(6-bromo-8-chloroimidazo[1,2-a]pyridin-2-yl)-1,2,4-oxadiazol-3-yl]-5-chloro-2-fluorophenyl]propanoic acid.
What is the SMILES notation for 3-[4-[5-(6-bromo-8-chloroimidazo[1,2-a]pyridin-2-yl)-1,2,4-oxadiazol-3-yl]-5-chloro-2-fluorophenyl]propanoic acid?
The canonical SMILES for 3-[4-[5-(6-bromo-8-chloroimidazo[1,2-a]pyridin-2-yl)-1,2,4-oxadiazol-3-yl]-5-chloro-2-fluorophenyl]propanoic acid is O=C(O)CCc1cc(Cl)c(-c2noc(-c3cn4cc(Br)cc(Cl)c4n3)n2)cc1F.
What is the InChIKey of 3-[4-[5-(6-bromo-8-chloroimidazo[1,2-a]pyridin-2-yl)-1,2,4-oxadiazol-3-yl]-5-chloro-2-fluorophenyl]propanoic acid?
The InChIKey is URQLKLNKSIEZKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H10BrCl2FN4O3/c19-9-4-12(21)17-23-14(7-26(17)6-9)18-24-16(25-29-18)10-5-13(22)8(3-11(10)20)1-2-15(27)28/h3-7H,1-2H2,(H,27,28).
What are the key properties of 3-[4-[5-(6-bromo-8-chloroimidazo[1,2-a]pyridin-2-yl)-1,2,4-oxadiazol-3-yl]-5-chloro-2-fluorophenyl]propanoic acid?
3-[4-[5-(6-bromo-8-chloroimidazo[1,2-a]pyridin-2-yl)-1,2,4-oxadiazol-3-yl]-5-chloro-2-fluorophenyl]propanoic acid has a molecular weight of 500.11 g/mol, XLogP of 5.28, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[5-(6-bromo-8-chloroimidazo[1,2-a]pyridin-2-yl)-1,2,4-oxadiazol-3-yl]-5-chloro-2-fluorophenyl]propanoic acid is sourced from PubChem (CID 59377387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).