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

C62H50Cl6F3I3N12O11 — CID 172937161

IUPACtert-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
SMILESCC(C)(C)OC(=O)CCc1cc(Cl)c(-c2noc(-c3cn4cc(I)cc(Cl)c4n3)n2)cc1F.CC(C)(C)OC(=O)CCc1cc(Cl)c(/C(N)=N/O)cc1F.O=C(O)CCc1cc(Cl)c(-c2noc(-c3cn4cc(I)cc(Cl)c4n3)n2)cc1F.O=C(O)c1cn2cc(I)cc(Cl)c2n1
InChIInChI=1S/C22H18Cl2FIN4O3.C18H10Cl2FIN4O3.C14H18ClFN2O3.C8H4ClIN2O2/c1-22(2,3)32-18(31)5-4-11-6-14(23)13(8-16(11)25)19-28-21(33-29-19)17-10-30-9-12(26)7-15(24)20(30)27-17;19-11-3-8(1-2-15(27)28)13(21)5-10(11)16-24-18(29-25-16)14-7-26-6-9(22)4-12(20)17(26)23-14;1-14(2,3)21-12(19)5-4-8-6-10(15)9(7-11(8)16)13(17)18-20;9-5-1-4(10)2-12-3-6(8(13)14)11-7(5)12/h6-10H,4-5H2,1-3H3;3-7H,1-2H2,(H,27,28);6-7,20H,4-5H2,1-3H3,(H2,17,18);1-3H,(H,13,14)
InChIKeyKMGJHYKXUVGXOR-UHFFFAOYSA-N
MW1789.58 g/mol
LogP16.63
Rot. Bonds15

About 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

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 (PubChem CID 172937161) has the molecular formula C62H50Cl6F3I3N12O11 and a molecular weight of 1789.58 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Nametert-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
PubChem CID172937161
Molecular FormulaC62H50Cl6F3I3N12O11
Molecular Weight1789.58 g/mol
Exact Mass1785.89
IUPAC Nametert-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
SMILESCC(C)(C)OC(=O)CCc1cc(Cl)c(-c2noc(-c3cn4cc(I)cc(Cl)c4n3)n2)cc1F.CC(C)(C)OC(=O)CCc1cc(Cl)c(/C(N)=N/O)cc1F.O=C(O)CCc1cc(Cl)c(-c2noc(-c3cn4cc(I)cc(Cl)c4n3)n2)cc1F.O=C(O)c1cn2cc(I)cc(Cl)c2n1
InChIInChI=1S/C22H18Cl2FIN4O3.C18H10Cl2FIN4O3.C14H18ClFN2O3.C8H4ClIN2O2/c1-22(2,3)32-18(31)5-4-11-6-14(23)13(8-16(11)25)19-28-21(33-29-19)17-10-30-9-12(26)7-15(24)20(30)27-17;19-11-3-8(1-2-15(27)28)13(21)5-10(11)16-24-18(29-25-16)14-7-26-6-9(22)4-12(20)17(26)23-14;1-14(2,3)21-12(19)5-4-8-6-10(15)9(7-11(8)16)13(17)18-20;9-5-1-4(10)2-12-3-6(8(13)14)11-7(5)12/h6-10H,4-5H2,1-3H3;3-7H,1-2H2,(H,27,28);6-7,20H,4-5H2,1-3H3,(H2,17,18);1-3H,(H,13,14)
InChIKeyKMGJHYKXUVGXOR-UHFFFAOYSA-N
XLogP16.63
TPSA315.55 Ų
H-Bond Donors4
H-Bond Acceptors20
Rotatable Bonds15
Heavy Atoms97
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001789.58
LogP ≤ 516.63
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1020

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 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 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-(6,8-dichloro-7-methylimidazo[1,2-a]pyridin-2-yl)-1,2,4-oxadiazol-3-yl]-2-fluorophenyl]propanoic acid
CID 59377352
tert-butyl 3-[4-[5-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-1,2,4-oxadiazol-3-yl]-3-methylphenyl]propanoate
CID 59377236
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-[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-(5,6-dimethylimidazo[1,2-a]pyridin-2-yl)-1,2,4-oxadiazol-3-yl]-2-fluorophenyl]propanoic acid
CID 90821088
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
tert-butyl 3-[3-chloro-4-[(Z)-N'-hydroxycarbamimidoyl]phenyl]propanoate
CID 59377189
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
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-[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

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC(C)(C)OC(=O)CCc1cc(Cl)c(-c2noc(-c3cn4cc(I)cc(Cl)c4n3)n2)cc1F.CC(C)(C)OC(=O)CCc1cc(Cl)c(/C(N)=N/O)cc1F.O=C(O)CCc1cc(Cl)c(-c2noc(-c3cn4cc(I)cc(Cl)c4n3)n2)cc1F.O=C(O)c1cn2cc(I)cc(Cl)c2n1.
What is the InChIKey of 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?
The InChIKey is KMGJHYKXUVGXOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18Cl2FIN4O3.C18H10Cl2FIN4O3.C14H18ClFN2O3.C8H4ClIN2O2/c1-22(2,3)32-18(31)5-4-11-6-14(23)13(8-16(11)25)19-28-21(33-29-19)17-10-30-9-12(26)7-15(24)20(30)27-17;19-11-3-8(1-2-15(27)28)13(21)5-10(11)16-24-18(29-25-16)14-7-26-6-9(22)4-12(20)17(26)23-14;1-14(2,3)21-12(19)5-4-8-6-10(15)9(7-11(8)16)13(17)18-20;9-5-1-4(10)2-12-3-6(8(13)14)11-7(5)12/h6-10H,4-5H2,1-3H3;3-7H,1-2H2,(H,27,28);6-7,20H,4-5H2,1-3H3,(H2,17,18);1-3H,(H,13,14).
What are the key properties of 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?
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 has a molecular weight of 1789.58 g/mol, XLogP of 16.63, 15 rotatable bonds, 4 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 172937161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).