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

C20H16ClFN4O3 — CID 90821088

IUPAC3-[5-chloro-4-[5-(5,6-dimethylimidazo[1,2-a]pyridin-2-yl)-1,2,4-oxadiazol-3-yl]-2-fluorophenyl]propanoic acid
SMILESCc1ccc2nc(-c3nc(-c4cc(F)c(CCC(=O)O)cc4Cl)no3)cn2c1C
InChIInChI=1S/C20H16ClFN4O3/c1-10-3-5-17-23-16(9-26(17)11(10)2)20-24-19(25-29-20)13-8-15(22)12(7-14(13)21)4-6-18(27)28/h3,5,7-9H,4,6H2,1-2H3,(H,27,28)
InChIKeyKJUIKPDLEAICJU-UHFFFAOYSA-N
MW414.82 g/mol
LogP4.48
Rot. Bonds5

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

3-[5-chloro-4-[5-(5,6-dimethylimidazo[1,2-a]pyridin-2-yl)-1,2,4-oxadiazol-3-yl]-2-fluorophenyl]propanoic acid (PubChem CID 90821088) has the molecular formula C20H16ClFN4O3 and a molecular weight of 414.82 g/mol. Its IUPAC name is 3-[5-chloro-4-[5-(5,6-dimethylimidazo[1,2-a]pyridin-2-yl)-1,2,4-oxadiazol-3-yl]-2-fluorophenyl]propanoic acid.

Molecular Properties

Compound Name3-[5-chloro-4-[5-(5,6-dimethylimidazo[1,2-a]pyridin-2-yl)-1,2,4-oxadiazol-3-yl]-2-fluorophenyl]propanoic acid
PubChem CID90821088
Molecular FormulaC20H16ClFN4O3
Molecular Weight414.82 g/mol
Exact Mass414.09
IUPAC Name3-[5-chloro-4-[5-(5,6-dimethylimidazo[1,2-a]pyridin-2-yl)-1,2,4-oxadiazol-3-yl]-2-fluorophenyl]propanoic acid
SMILESCc1ccc2nc(-c3nc(-c4cc(F)c(CCC(=O)O)cc4Cl)no3)cn2c1C
InChIInChI=1S/C20H16ClFN4O3/c1-10-3-5-17-23-16(9-26(17)11(10)2)20-24-19(25-29-20)13-8-15(22)12(7-14(13)21)4-6-18(27)28/h3,5,7-9H,4,6H2,1-2H3,(H,27,28)
InChIKeyKJUIKPDLEAICJU-UHFFFAOYSA-N
XLogP4.48
TPSA93.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.82
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-[5-chloro-4-[5-(5,6-dimethylimidazo[1,2-a]pyridin-2-yl)-1,2,4-oxadiazol-3-yl]-2-fluorophenyl]propanoic acid with MolForge

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Related Compounds

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-(6,8-dichloro-7-methylimidazo[1,2-a]pyridin-2-yl)-1,2,4-oxadiazol-3-yl]-2-fluorophenyl]propanoic acid
CID 59377352
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
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
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
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-[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-(4-chloro-5-fluoro-2-methylphenyl)propanoic acid
CID 84784993
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-[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]propanoic acid
CID 16779155
3-(2,5-dichloro-4-fluorophenyl)propanoic acid
CID 84699843
3-[6-(2,4-dichlorophenyl)-2-methyl-3-pyridinyl]propanoic acid
CID 82452786

Frequently Asked Questions

What is the IUPAC name of 3-[5-chloro-4-[5-(5,6-dimethylimidazo[1,2-a]pyridin-2-yl)-1,2,4-oxadiazol-3-yl]-2-fluorophenyl]propanoic acid?
The IUPAC name of 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) is 3-[5-chloro-4-[5-(5,6-dimethylimidazo[1,2-a]pyridin-2-yl)-1,2,4-oxadiazol-3-yl]-2-fluorophenyl]propanoic acid.
What is the SMILES notation for 3-[5-chloro-4-[5-(5,6-dimethylimidazo[1,2-a]pyridin-2-yl)-1,2,4-oxadiazol-3-yl]-2-fluorophenyl]propanoic acid?
The canonical SMILES for 3-[5-chloro-4-[5-(5,6-dimethylimidazo[1,2-a]pyridin-2-yl)-1,2,4-oxadiazol-3-yl]-2-fluorophenyl]propanoic acid is Cc1ccc2nc(-c3nc(-c4cc(F)c(CCC(=O)O)cc4Cl)no3)cn2c1C.
What is the InChIKey of 3-[5-chloro-4-[5-(5,6-dimethylimidazo[1,2-a]pyridin-2-yl)-1,2,4-oxadiazol-3-yl]-2-fluorophenyl]propanoic acid?
The InChIKey is KJUIKPDLEAICJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16ClFN4O3/c1-10-3-5-17-23-16(9-26(17)11(10)2)20-24-19(25-29-20)13-8-15(22)12(7-14(13)21)4-6-18(27)28/h3,5,7-9H,4,6H2,1-2H3,(H,27,28).
What are the key properties of 3-[5-chloro-4-[5-(5,6-dimethylimidazo[1,2-a]pyridin-2-yl)-1,2,4-oxadiazol-3-yl]-2-fluorophenyl]propanoic acid?
3-[5-chloro-4-[5-(5,6-dimethylimidazo[1,2-a]pyridin-2-yl)-1,2,4-oxadiazol-3-yl]-2-fluorophenyl]propanoic acid has a molecular weight of 414.82 g/mol, XLogP of 4.48, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-chloro-4-[5-(5,6-dimethylimidazo[1,2-a]pyridin-2-yl)-1,2,4-oxadiazol-3-yl]-2-fluorophenyl]propanoic acid is sourced from PubChem (CID 90821088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).