4-amino-3-[3-chloro-4-[5-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-1,2,4-oxadiazol-3-yl]phenyl]-4-oxobutanoic acid;3-chloro-4-[5-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-1,2,4-oxadiazol-3-yl]benzaldehyde;3-[3-chloro-4-[5-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-1,2,4-oxadiazol-3-yl]phenyl]-3-isocyanopropanoic acid;diethyl 2-[[3-chloro-4-[5-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-1,2,4-oxadiazol-3-yl]phenyl]methylidene]propanedioate;diethyl propanedioate;ethyl 3-[3-chloro-4-[5-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-1,2,4-oxadiazol-3-yl]phenyl]-3-isocyanopropanoate

C110H72Cl10F15N23O21 — CID 157258188

About 4-amino-3-[3-chloro-4-[5-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-1,2,4-oxadiazol-3-yl]phenyl]-4-oxobutanoic acid;3-chloro-4-[5-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-1,2,4-oxadiazol-3-yl]benzaldehyde;3-[3-chloro-4-[5-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-1,2,4-oxadiazol-3-yl]phenyl]-3-isocyanopropanoic acid;diethyl 2-[[3-chloro-4-[5-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-1,2,4-oxadiazol-3-yl]phenyl]methylidene]propanedioate;diethyl propanedioate;ethyl 3-[3-chloro-4-[5-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-1,2,4-oxadiazol-3-yl]phenyl]-3-isocyanopropanoate

4-amino-3-[3-chloro-4-[5-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-1,2,4-oxadiazol-3-yl]phenyl]-4-oxobutanoic acid;3-chloro-4-[5-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-1,2,4-oxadiazol-3-yl]benzaldehyde;3-[3-chloro-4-[5-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-1,2,4-oxadiazol-3-yl]phenyl]-3-isocyanopropanoic acid;diethyl 2-[[3-chloro-4-[5-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-1,2,4-oxadiazol-3-yl]phenyl]methylidene]propanedioate;diethyl propanedioate;ethyl 3-[3-chloro-4-[5-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-1,2,4-oxadiazol-3-yl]phenyl]-3-isocyanopropanoate (PubChem CID 157258188) has the molecular formula C110H72Cl10F15N23O21 and a molecular weight of 2691.43 g/mol. Its IUPAC name is 4-amino-3-[3-chloro-4-[5-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-1,2,4-oxadiazol-3-yl]phenyl]-4-oxobutanoic acid;3-chloro-4-[5-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-1,2,4-oxadiazol-3-yl]benzaldehyde;3-[3-chloro-4-[5-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-1,2,4-oxadiazol-3-yl]phenyl]-3-isocyanopropanoic acid;diethyl 2-[[3-chloro-4-[5-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-1,2,4-oxadiazol-3-yl]phenyl]methylidene]propanedioate;diethyl propanedioate;ethyl 3-[3-chloro-4-[5-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-1,2,4-oxadiazol-3-yl]phenyl]-3-isocyanopropanoate.

Molecular Properties

• Compound Name: 4-amino-3-[3-chloro-4-[5-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-1,2,4-oxadiazol-3-yl]phenyl]-4-oxobutanoic acid;3-chloro-4-[5-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-1,2,4-oxadiazol-3-yl]benzaldehyde;3-[3-chloro-4-[5-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-1,2,4-oxadiazol-3-yl]phenyl]-3-isocyanopropanoic acid;diethyl 2-[[3-chloro-4-[5-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-1,2,4-oxadiazol-3-yl]phenyl]methylidene]propanedioate;diethyl propanedioate;ethyl 3-[3-chloro-4-[5-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-1,2,4-oxadiazol-3-yl]phenyl]-3-isocyanopropanoate
• PubChem CID: 157258188
• Molecular Formula: C110H72Cl10F15N23O21
• Molecular Weight: 2691.43 g/mol
• Exact Mass: 2685.19
• IUPAC Name: 4-amino-3-[3-chloro-4-[5-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-1,2,4-oxadiazol-3-yl]phenyl]-4-oxobutanoic acid;3-chloro-4-[5-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-1,2,4-oxadiazol-3-yl]benzaldehyde;3-[3-chloro-4-[5-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-1,2,4-oxadiazol-3-yl]phenyl]-3-isocyanopropanoic acid;diethyl 2-[[3-chloro-4-[5-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-1,2,4-oxadiazol-3-yl]phenyl]methylidene]propanedioate;diethyl propanedioate;ethyl 3-[3-chloro-4-[5-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-1,2,4-oxadiazol-3-yl]phenyl]-3-isocyanopropanoate
• SMILES: CCOC(=O)C(=Cc1ccc(-c2noc(-c3cn4cc(C(F)(F)F)cc(Cl)c4n3)n2)c(Cl)c1)C(=O)OCC.CCOC(=O)CC(=O)OCC.NC(=O)C(CC(=O)O)c1ccc(-c2noc(-c3cn4cc(C(F)(F)F)cc(Cl)c4n3)n2)c(Cl)c1.O=Cc1ccc(-c2noc(-c3cn4cc(C(F)(F)F)cc(Cl)c4n3)n2)c(Cl)c1.[C-]#[N+]C(CC(=O)O)c1ccc(-c2noc(-c3cn4cc(C(F)(F)F)cc(Cl)c4n3)n2)c(Cl)c1.[C-]#[N+]C(CC(=O)OCC)c1ccc(-c2noc(-c3cn4cc(C(F)(F)F)cc(Cl)c4n3)n2)c(Cl)c1
• InChI: InChI=1S/C24H17Cl2F3N4O5.C22H14Cl2F3N5O3.C20H12Cl2F3N5O4.C20H10Cl2F3N5O3.C17H7Cl2F3N4O2.C7H12O4/c1-3-36-22(34)15(23(35)37-4-2)7-12-5-6-14(16(25)8-12)19-31-21(38-32-19)18-11-33-10-13(24(27,28)29)9-17(26)20(33)30-18;1-3-34-18(33)8-16(28-2)11-4-5-13(14(23)6-11)19-30-21(35-31-19)17-10-32-9-12(22(25,26)27)7-15(24)20(32)29-17;21-12-3-8(11(16(26)33)5-15(31)32)1-2-10(12)17-28-19(34-29-17)14-7-30-6-9(20(23,24)25)4-13(22)18(30)27-14;1-26-14(6-16(31)32)9-2-3-11(12(21)4-9)17-28-19(33-29-17)15-8-30-7-10(20(23,24)25)5-13(22)18(30)27-15;18-11-3-8(7-27)1-2-10(11)14-24-16(28-25-14)13-6-26-5-9(17(20,21)22)4-12(19)15(26)23-13;1-3-10-6(8)5-7(9)11-4-2/h5-11H,3-4H2,1-2H3;4-7,9-10,16H,3,8H2,1H3;1-4,6-7,11H,5H2,(H2,26,33)(H,31,32);2-5,7-8,14H,6H2,(H,31,32);1-7H;3-5H2,1-2H3
• InChIKey: AXDHEMOPTUJNLL-UHFFFAOYSA-N
• XLogP: 28.10
• TPSA: 556.08 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 39
• Rotatable Bonds: 31
• Heavy Atoms: 179
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2691.43
LogP ≤ 5	28.10
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	39

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-[3-chloro-4-[5-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-1,2,4-oxadiazol-3-yl]phenyl]-4-oxobutanoic acid;3-chloro-4-[5-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-1,2,4-oxadiazol-3-yl]benzaldehyde;3-[3-chloro-4-[5-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-1,2,4-oxadiazol-3-yl]phenyl]-3-isocyanopropanoic acid;diethyl 2-[[3-chloro-4-[5-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-1,2,4-oxadiazol-3-yl]phenyl]methylidene]propanedioate;diethyl propanedioate;ethyl 3-[3-chloro-4-[5-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-1,2,4-oxadiazol-3-yl]phenyl]-3-isocyanopropanoate?

The IUPAC name of 4-amino-3-[3-chloro-4-[5-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-1,2,4-oxadiazol-3-yl]phenyl]-4-oxobutanoic acid;3-chloro-4-[5-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-1,2,4-oxadiazol-3-yl]benzaldehyde;3-[3-chloro-4-[5-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-1,2,4-oxadiazol-3-yl]phenyl]-3-isocyanopropanoic acid;diethyl 2-[[3-chloro-4-[5-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-1,2,4-oxadiazol-3-yl]phenyl]methylidene]propanedioate;diethyl propanedioate;ethyl 3-[3-chloro-4-[5-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-1,2,4-oxadiazol-3-yl]phenyl]-3-isocyanopropanoate (CID 157258188) is 4-amino-3-[3-chloro-4-[5-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-1,2,4-oxadiazol-3-yl]phenyl]-4-oxobutanoic acid;3-chloro-4-[5-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-1,2,4-oxadiazol-3-yl]benzaldehyde;3-[3-chloro-4-[5-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-1,2,4-oxadiazol-3-yl]phenyl]-3-isocyanopropanoic acid;diethyl 2-[[3-chloro-4-[5-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-1,2,4-oxadiazol-3-yl]phenyl]methylidene]propanedioate;diethyl propanedioate;ethyl 3-[3-chloro-4-[5-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-1,2,4-oxadiazol-3-yl]phenyl]-3-isocyanopropanoate.

What is the SMILES notation for 4-amino-3-[3-chloro-4-[5-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-1,2,4-oxadiazol-3-yl]phenyl]-4-oxobutanoic acid;3-chloro-4-[5-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-1,2,4-oxadiazol-3-yl]benzaldehyde;3-[3-chloro-4-[5-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-1,2,4-oxadiazol-3-yl]phenyl]-3-isocyanopropanoic acid;diethyl 2-[[3-chloro-4-[5-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-1,2,4-oxadiazol-3-yl]phenyl]methylidene]propanedioate;diethyl propanedioate;ethyl 3-[3-chloro-4-[5-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-1,2,4-oxadiazol-3-yl]phenyl]-3-isocyanopropanoate?

The canonical SMILES for 4-amino-3-[3-chloro-4-[5-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-1,2,4-oxadiazol-3-yl]phenyl]-4-oxobutanoic acid;3-chloro-4-[5-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-1,2,4-oxadiazol-3-yl]benzaldehyde;3-[3-chloro-4-[5-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-1,2,4-oxadiazol-3-yl]phenyl]-3-isocyanopropanoic acid;diethyl 2-[[3-chloro-4-[5-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-1,2,4-oxadiazol-3-yl]phenyl]methylidene]propanedioate;diethyl propanedioate;ethyl 3-[3-chloro-4-[5-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-1,2,4-oxadiazol-3-yl]phenyl]-3-isocyanopropanoate is CCOC(=O)C(=Cc1ccc(-c2noc(-c3cn4cc(C(F)(F)F)cc(Cl)c4n3)n2)c(Cl)c1)C(=O)OCC.CCOC(=O)CC(=O)OCC.NC(=O)C(CC(=O)O)c1ccc(-c2noc(-c3cn4cc(C(F)(F)F)cc(Cl)c4n3)n2)c(Cl)c1.O=Cc1ccc(-c2noc(-c3cn4cc(C(F)(F)F)cc(Cl)c4n3)n2)c(Cl)c1.[C-]#[N+]C(CC(=O)O)c1ccc(-c2noc(-c3cn4cc(C(F)(F)F)cc(Cl)c4n3)n2)c(Cl)c1.[C-]#[N+]C(CC(=O)OCC)c1ccc(-c2noc(-c3cn4cc(C(F)(F)F)cc(Cl)c4n3)n2)c(Cl)c1.

What is the InChIKey of 4-amino-3-[3-chloro-4-[5-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-1,2,4-oxadiazol-3-yl]phenyl]-4-oxobutanoic acid;3-chloro-4-[5-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-1,2,4-oxadiazol-3-yl]benzaldehyde;3-[3-chloro-4-[5-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-1,2,4-oxadiazol-3-yl]phenyl]-3-isocyanopropanoic acid;diethyl 2-[[3-chloro-4-[5-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-1,2,4-oxadiazol-3-yl]phenyl]methylidene]propanedioate;diethyl propanedioate;ethyl 3-[3-chloro-4-[5-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-1,2,4-oxadiazol-3-yl]phenyl]-3-isocyanopropanoate?

The InChIKey is AXDHEMOPTUJNLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17Cl2F3N4O5.C22H14Cl2F3N5O3.C20H12Cl2F3N5O4.C20H10Cl2F3N5O3.C17H7Cl2F3N4O2.C7H12O4/c1-3-36-22(34)15(23(35)37-4-2)7-12-5-6-14(16(25)8-12)19-31-21(38-32-19)18-11-33-10-13(24(27,28)29)9-17(26)20(33)30-18;1-3-34-18(33)8-16(28-2)11-4-5-13(14(23)6-11)19-30-21(35-31-19)17-10-32-9-12(22(25,26)27)7-15(24)20(32)29-17;21-12-3-8(11(16(26)33)5-15(31)32)1-2-10(12)17-28-19(34-29-17)14-7-30-6-9(20(23,24)25)4-13(22)18(30)27-14;1-26-14(6-16(31)32)9-2-3-11(12(21)4-9)17-28-19(33-29-17)15-8-30-7-10(20(23,24)25)5-13(22)18(30)27-15;18-11-3-8(7-27)1-2-10(11)14-24-16(28-25-14)13-6-26-5-9(17(20,21)22)4-12(19)15(26)23-13;1-3-10-6(8)5-7(9)11-4-2/h5-11H,3-4H2,1-2H3;4-7,9-10,16H,3,8H2,1H3;1-4,6-7,11H,5H2,(H2,26,33)(H,31,32);2-5,7-8,14H,6H2,(H,31,32);1-7H;3-5H2,1-2H3.

What are the key properties of 4-amino-3-[3-chloro-4-[5-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-1,2,4-oxadiazol-3-yl]phenyl]-4-oxobutanoic acid;3-chloro-4-[5-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-1,2,4-oxadiazol-3-yl]benzaldehyde;3-[3-chloro-4-[5-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-1,2,4-oxadiazol-3-yl]phenyl]-3-isocyanopropanoic acid;diethyl 2-[[3-chloro-4-[5-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-1,2,4-oxadiazol-3-yl]phenyl]methylidene]propanedioate;diethyl propanedioate;ethyl 3-[3-chloro-4-[5-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-1,2,4-oxadiazol-3-yl]phenyl]-3-isocyanopropanoate?

4-amino-3-[3-chloro-4-[5-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-1,2,4-oxadiazol-3-yl]phenyl]-4-oxobutanoic acid;3-chloro-4-[5-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-1,2,4-oxadiazol-3-yl]benzaldehyde;3-[3-chloro-4-[5-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-1,2,4-oxadiazol-3-yl]phenyl]-3-isocyanopropanoic acid;diethyl 2-[[3-chloro-4-[5-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-1,2,4-oxadiazol-3-yl]phenyl]methylidene]propanedioate;diethyl propanedioate;ethyl 3-[3-chloro-4-[5-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-1,2,4-oxadiazol-3-yl]phenyl]-3-isocyanopropanoate has a molecular weight of 2691.43 g/mol, XLogP of 28.10, 31 rotatable bonds, 3 hydrogen bond donors, and 39 hydrogen bond acceptors.

Where does this data come from?

All data for 4-amino-3-[3-chloro-4-[5-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-1,2,4-oxadiazol-3-yl]phenyl]-4-oxobutanoic acid;3-chloro-4-[5-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-1,2,4-oxadiazol-3-yl]benzaldehyde;3-[3-chloro-4-[5-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-1,2,4-oxadiazol-3-yl]phenyl]-3-isocyanopropanoic acid;diethyl 2-[[3-chloro-4-[5-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-1,2,4-oxadiazol-3-yl]phenyl]methylidene]propanedioate;diethyl propanedioate;ethyl 3-[3-chloro-4-[5-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-1,2,4-oxadiazol-3-yl]phenyl]-3-isocyanopropanoate is sourced from PubChem (CID 157258188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).