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

C19H12Cl3FN4O3 — CID 59377352

IUPAC3-[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
SMILESCc1c(Cl)cn2cc(-c3nc(-c4cc(F)c(CCC(=O)O)cc4Cl)no3)nc2c1Cl
InChIInChI=1S/C19H12Cl3FN4O3/c1-8-12(21)6-27-7-14(24-18(27)16(8)22)19-25-17(26-30-19)10-5-13(23)9(4-11(10)20)2-3-15(28)29/h4-7H,2-3H2,1H3,(H,28,29)
InChIKeyWBBVBOPKLZNPFV-UHFFFAOYSA-N
MW469.69 g/mol
LogP5.48
Rot. Bonds5

About 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

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 (PubChem CID 59377352) has the molecular formula C19H12Cl3FN4O3 and a molecular weight of 469.69 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name3-[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
PubChem CID59377352
Molecular FormulaC19H12Cl3FN4O3
Molecular Weight469.69 g/mol
Exact Mass468.00
IUPAC Name3-[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
SMILESCc1c(Cl)cn2cc(-c3nc(-c4cc(F)c(CCC(=O)O)cc4Cl)no3)nc2c1Cl
InChIInChI=1S/C19H12Cl3FN4O3/c1-8-12(21)6-27-7-14(24-18(27)16(8)22)19-25-17(26-30-19)10-5-13(23)9(4-11(10)20)2-3-15(28)29/h4-7H,2-3H2,1H3,(H,28,29)
InChIKeyWBBVBOPKLZNPFV-UHFFFAOYSA-N
XLogP5.48
TPSA93.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500469.69
LogP ≤ 55.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 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 with MolForge

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Related Compounds

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-[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-[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-[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-[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-[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-[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
3-[3-chloro-4-[5-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-1,2,4-oxadiazol-3-yl]phenyl]butanoic acid
CID 46234051

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cc1c(Cl)cn2cc(-c3nc(-c4cc(F)c(CCC(=O)O)cc4Cl)no3)nc2c1Cl.
What is the InChIKey of 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?
The InChIKey is WBBVBOPKLZNPFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12Cl3FN4O3/c1-8-12(21)6-27-7-14(24-18(27)16(8)22)19-25-17(26-30-19)10-5-13(23)9(4-11(10)20)2-3-15(28)29/h4-7H,2-3H2,1H3,(H,28,29).
What are the key properties of 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?
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 has a molecular weight of 469.69 g/mol, XLogP of 5.48, 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-(6,8-dichloro-7-methylimidazo[1,2-a]pyridin-2-yl)-1,2,4-oxadiazol-3-yl]-2-fluorophenyl]propanoic acid is sourced from PubChem (CID 59377352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).