5-(4-chlorophenyl)-4-[hydroxy-(4-propan-2-ylphenyl)methylidene]-1-(6-methylpyridazin-3-yl)pyrrolidine-2,3-dione;4-[hydroxy-[4-(2-methoxyethoxy)phenyl]methylidene]-1-(6-methylpyridazin-3-yl)-5-[4-(trifluoromethoxy)phenyl]pyrrolidine-2,3-dione;4-[(2-methoxyethoxyamino)-(4-propan-2-ylphenyl)methylidene]-1-(6-methylpyridazin-3-yl)-5-[4-(trifluoromethoxy)phenyl]pyrrolidine-2,3-dione;[1-(6-methylpyridazin-3-yl)-5-oxo-3-(4-propan-2-ylbenzoyl)-2-[4-(trifluoromethoxy)phenyl]-2H-pyrrol-4-yl] acetate

C108H97ClF9N13O19 — CID 159597847

About 5-(4-chlorophenyl)-4-[hydroxy-(4-propan-2-ylphenyl)methylidene]-1-(6-methylpyridazin-3-yl)pyrrolidine-2,3-dione;4-[hydroxy-[4-(2-methoxyethoxy)phenyl]methylidene]-1-(6-methylpyridazin-3-yl)-5-[4-(trifluoromethoxy)phenyl]pyrrolidine-2,3-dione;4-[(2-methoxyethoxyamino)-(4-propan-2-ylphenyl)methylidene]-1-(6-methylpyridazin-3-yl)-5-[4-(trifluoromethoxy)phenyl]pyrrolidine-2,3-dione;[1-(6-methylpyridazin-3-yl)-5-oxo-3-(4-propan-2-ylbenzoyl)-2-[4-(trifluoromethoxy)phenyl]-2H-pyrrol-4-yl] acetate

5-(4-chlorophenyl)-4-[hydroxy-(4-propan-2-ylphenyl)methylidene]-1-(6-methylpyridazin-3-yl)pyrrolidine-2,3-dione;4-[hydroxy-[4-(2-methoxyethoxy)phenyl]methylidene]-1-(6-methylpyridazin-3-yl)-5-[4-(trifluoromethoxy)phenyl]pyrrolidine-2,3-dione;4-[(2-methoxyethoxyamino)-(4-propan-2-ylphenyl)methylidene]-1-(6-methylpyridazin-3-yl)-5-[4-(trifluoromethoxy)phenyl]pyrrolidine-2,3-dione;[1-(6-methylpyridazin-3-yl)-5-oxo-3-(4-propan-2-ylbenzoyl)-2-[4-(trifluoromethoxy)phenyl]-2H-pyrrol-4-yl] acetate (PubChem CID 159597847) has the molecular formula C108H97ClF9N13O19 and a molecular weight of 2087.47 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-4-[hydroxy-(4-propan-2-ylphenyl)methylidene]-1-(6-methylpyridazin-3-yl)pyrrolidine-2,3-dione;4-[hydroxy-[4-(2-methoxyethoxy)phenyl]methylidene]-1-(6-methylpyridazin-3-yl)-5-[4-(trifluoromethoxy)phenyl]pyrrolidine-2,3-dione;4-[(2-methoxyethoxyamino)-(4-propan-2-ylphenyl)methylidene]-1-(6-methylpyridazin-3-yl)-5-[4-(trifluoromethoxy)phenyl]pyrrolidine-2,3-dione;[1-(6-methylpyridazin-3-yl)-5-oxo-3-(4-propan-2-ylbenzoyl)-2-[4-(trifluoromethoxy)phenyl]-2H-pyrrol-4-yl] acetate.

Molecular Properties

• Compound Name: 5-(4-chlorophenyl)-4-[hydroxy-(4-propan-2-ylphenyl)methylidene]-1-(6-methylpyridazin-3-yl)pyrrolidine-2,3-dione;4-[hydroxy-[4-(2-methoxyethoxy)phenyl]methylidene]-1-(6-methylpyridazin-3-yl)-5-[4-(trifluoromethoxy)phenyl]pyrrolidine-2,3-dione;4-[(2-methoxyethoxyamino)-(4-propan-2-ylphenyl)methylidene]-1-(6-methylpyridazin-3-yl)-5-[4-(trifluoromethoxy)phenyl]pyrrolidine-2,3-dione;[1-(6-methylpyridazin-3-yl)-5-oxo-3-(4-propan-2-ylbenzoyl)-2-[4-(trifluoromethoxy)phenyl]-2H-pyrrol-4-yl] acetate
• PubChem CID: 159597847
• Molecular Formula: C108H97ClF9N13O19
• Molecular Weight: 2087.47 g/mol
• Exact Mass: 2085.66
• IUPAC Name: 5-(4-chlorophenyl)-4-[hydroxy-(4-propan-2-ylphenyl)methylidene]-1-(6-methylpyridazin-3-yl)pyrrolidine-2,3-dione;4-[hydroxy-[4-(2-methoxyethoxy)phenyl]methylidene]-1-(6-methylpyridazin-3-yl)-5-[4-(trifluoromethoxy)phenyl]pyrrolidine-2,3-dione;4-[(2-methoxyethoxyamino)-(4-propan-2-ylphenyl)methylidene]-1-(6-methylpyridazin-3-yl)-5-[4-(trifluoromethoxy)phenyl]pyrrolidine-2,3-dione;[1-(6-methylpyridazin-3-yl)-5-oxo-3-(4-propan-2-ylbenzoyl)-2-[4-(trifluoromethoxy)phenyl]-2H-pyrrol-4-yl] acetate
• SMILES: CC(=O)OC1=C(C(=O)c2ccc(C(C)C)cc2)C(c2ccc(OC(F)(F)F)cc2)N(c2ccc(C)nn2)C1=O.COCCONC(=C1C(=O)C(=O)N(c2ccc(C)nn2)C1c1ccc(OC(F)(F)F)cc1)c1ccc(C(C)C)cc1.COCCOc1ccc(C(O)=C2C(=O)C(=O)N(c3ccc(C)nn3)C2c2ccc(OC(F)(F)F)cc2)cc1.Cc1ccc(N2C(=O)C(=O)C(=C(O)c3ccc(C(C)C)cc3)C2c2ccc(Cl)cc2)nn1
• InChI: InChI=1S/C29H29F3N4O5.C28H24F3N3O5.C26H22F3N3O6.C25H22ClN3O3/c1-17(2)19-6-8-20(9-7-19)25(35-40-16-15-39-4)24-26(21-10-12-22(13-11-21)41-29(30,31)32)36(28(38)27(24)37)23-14-5-18(3)33-34-23;1-15(2)18-6-8-20(9-7-18)25(36)23-24(19-10-12-21(13-11-19)39-28(29,30)31)34(22-14-5-16(3)32-33-22)27(37)26(23)38-17(4)35;1-15-3-12-20(31-30-15)32-22(16-4-10-19(11-5-16)38-26(27,28)29)21(24(34)25(32)35)23(33)17-6-8-18(9-7-17)37-14-13-36-2;1-14(2)16-5-7-18(8-6-16)23(30)21-22(17-9-11-19(26)12-10-17)29(25(32)24(21)31)20-13-4-15(3)27-28-20/h5-14,17,26,35H,15-16H2,1-4H3;5-15,24H,1-4H3;3-12,22,33H,13-14H2,1-2H3;4-14,22,30H,1-3H3
• InChIKey: JOTUIMYRWKTZQR-UHFFFAOYSA-N
• XLogP: 20.16
• TPSA: 396.04 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 28
• Rotatable Bonds: 29
• Heavy Atoms: 150
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2087.47
LogP ≤ 5	20.16
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	28

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenyl)-4-[hydroxy-(4-propan-2-ylphenyl)methylidene]-1-(6-methylpyridazin-3-yl)pyrrolidine-2,3-dione;4-[hydroxy-[4-(2-methoxyethoxy)phenyl]methylidene]-1-(6-methylpyridazin-3-yl)-5-[4-(trifluoromethoxy)phenyl]pyrrolidine-2,3-dione;4-[(2-methoxyethoxyamino)-(4-propan-2-ylphenyl)methylidene]-1-(6-methylpyridazin-3-yl)-5-[4-(trifluoromethoxy)phenyl]pyrrolidine-2,3-dione;[1-(6-methylpyridazin-3-yl)-5-oxo-3-(4-propan-2-ylbenzoyl)-2-[4-(trifluoromethoxy)phenyl]-2H-pyrrol-4-yl] acetate?

The IUPAC name of 5-(4-chlorophenyl)-4-[hydroxy-(4-propan-2-ylphenyl)methylidene]-1-(6-methylpyridazin-3-yl)pyrrolidine-2,3-dione;4-[hydroxy-[4-(2-methoxyethoxy)phenyl]methylidene]-1-(6-methylpyridazin-3-yl)-5-[4-(trifluoromethoxy)phenyl]pyrrolidine-2,3-dione;4-[(2-methoxyethoxyamino)-(4-propan-2-ylphenyl)methylidene]-1-(6-methylpyridazin-3-yl)-5-[4-(trifluoromethoxy)phenyl]pyrrolidine-2,3-dione;[1-(6-methylpyridazin-3-yl)-5-oxo-3-(4-propan-2-ylbenzoyl)-2-[4-(trifluoromethoxy)phenyl]-2H-pyrrol-4-yl] acetate (CID 159597847) is 5-(4-chlorophenyl)-4-[hydroxy-(4-propan-2-ylphenyl)methylidene]-1-(6-methylpyridazin-3-yl)pyrrolidine-2,3-dione;4-[hydroxy-[4-(2-methoxyethoxy)phenyl]methylidene]-1-(6-methylpyridazin-3-yl)-5-[4-(trifluoromethoxy)phenyl]pyrrolidine-2,3-dione;4-[(2-methoxyethoxyamino)-(4-propan-2-ylphenyl)methylidene]-1-(6-methylpyridazin-3-yl)-5-[4-(trifluoromethoxy)phenyl]pyrrolidine-2,3-dione;[1-(6-methylpyridazin-3-yl)-5-oxo-3-(4-propan-2-ylbenzoyl)-2-[4-(trifluoromethoxy)phenyl]-2H-pyrrol-4-yl] acetate.

What is the SMILES notation for 5-(4-chlorophenyl)-4-[hydroxy-(4-propan-2-ylphenyl)methylidene]-1-(6-methylpyridazin-3-yl)pyrrolidine-2,3-dione;4-[hydroxy-[4-(2-methoxyethoxy)phenyl]methylidene]-1-(6-methylpyridazin-3-yl)-5-[4-(trifluoromethoxy)phenyl]pyrrolidine-2,3-dione;4-[(2-methoxyethoxyamino)-(4-propan-2-ylphenyl)methylidene]-1-(6-methylpyridazin-3-yl)-5-[4-(trifluoromethoxy)phenyl]pyrrolidine-2,3-dione;[1-(6-methylpyridazin-3-yl)-5-oxo-3-(4-propan-2-ylbenzoyl)-2-[4-(trifluoromethoxy)phenyl]-2H-pyrrol-4-yl] acetate?

The canonical SMILES for 5-(4-chlorophenyl)-4-[hydroxy-(4-propan-2-ylphenyl)methylidene]-1-(6-methylpyridazin-3-yl)pyrrolidine-2,3-dione;4-[hydroxy-[4-(2-methoxyethoxy)phenyl]methylidene]-1-(6-methylpyridazin-3-yl)-5-[4-(trifluoromethoxy)phenyl]pyrrolidine-2,3-dione;4-[(2-methoxyethoxyamino)-(4-propan-2-ylphenyl)methylidene]-1-(6-methylpyridazin-3-yl)-5-[4-(trifluoromethoxy)phenyl]pyrrolidine-2,3-dione;[1-(6-methylpyridazin-3-yl)-5-oxo-3-(4-propan-2-ylbenzoyl)-2-[4-(trifluoromethoxy)phenyl]-2H-pyrrol-4-yl] acetate is CC(=O)OC1=C(C(=O)c2ccc(C(C)C)cc2)C(c2ccc(OC(F)(F)F)cc2)N(c2ccc(C)nn2)C1=O.COCCONC(=C1C(=O)C(=O)N(c2ccc(C)nn2)C1c1ccc(OC(F)(F)F)cc1)c1ccc(C(C)C)cc1.COCCOc1ccc(C(O)=C2C(=O)C(=O)N(c3ccc(C)nn3)C2c2ccc(OC(F)(F)F)cc2)cc1.Cc1ccc(N2C(=O)C(=O)C(=C(O)c3ccc(C(C)C)cc3)C2c2ccc(Cl)cc2)nn1.

What is the InChIKey of 5-(4-chlorophenyl)-4-[hydroxy-(4-propan-2-ylphenyl)methylidene]-1-(6-methylpyridazin-3-yl)pyrrolidine-2,3-dione;4-[hydroxy-[4-(2-methoxyethoxy)phenyl]methylidene]-1-(6-methylpyridazin-3-yl)-5-[4-(trifluoromethoxy)phenyl]pyrrolidine-2,3-dione;4-[(2-methoxyethoxyamino)-(4-propan-2-ylphenyl)methylidene]-1-(6-methylpyridazin-3-yl)-5-[4-(trifluoromethoxy)phenyl]pyrrolidine-2,3-dione;[1-(6-methylpyridazin-3-yl)-5-oxo-3-(4-propan-2-ylbenzoyl)-2-[4-(trifluoromethoxy)phenyl]-2H-pyrrol-4-yl] acetate?

The InChIKey is JOTUIMYRWKTZQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H29F3N4O5.C28H24F3N3O5.C26H22F3N3O6.C25H22ClN3O3/c1-17(2)19-6-8-20(9-7-19)25(35-40-16-15-39-4)24-26(21-10-12-22(13-11-21)41-29(30,31)32)36(28(38)27(24)37)23-14-5-18(3)33-34-23;1-15(2)18-6-8-20(9-7-18)25(36)23-24(19-10-12-21(13-11-19)39-28(29,30)31)34(22-14-5-16(3)32-33-22)27(37)26(23)38-17(4)35;1-15-3-12-20(31-30-15)32-22(16-4-10-19(11-5-16)38-26(27,28)29)21(24(34)25(32)35)23(33)17-6-8-18(9-7-17)37-14-13-36-2;1-14(2)16-5-7-18(8-6-16)23(30)21-22(17-9-11-19(26)12-10-17)29(25(32)24(21)31)20-13-4-15(3)27-28-20/h5-14,17,26,35H,15-16H2,1-4H3;5-15,24H,1-4H3;3-12,22,33H,13-14H2,1-2H3;4-14,22,30H,1-3H3.

What are the key properties of 5-(4-chlorophenyl)-4-[hydroxy-(4-propan-2-ylphenyl)methylidene]-1-(6-methylpyridazin-3-yl)pyrrolidine-2,3-dione;4-[hydroxy-[4-(2-methoxyethoxy)phenyl]methylidene]-1-(6-methylpyridazin-3-yl)-5-[4-(trifluoromethoxy)phenyl]pyrrolidine-2,3-dione;4-[(2-methoxyethoxyamino)-(4-propan-2-ylphenyl)methylidene]-1-(6-methylpyridazin-3-yl)-5-[4-(trifluoromethoxy)phenyl]pyrrolidine-2,3-dione;[1-(6-methylpyridazin-3-yl)-5-oxo-3-(4-propan-2-ylbenzoyl)-2-[4-(trifluoromethoxy)phenyl]-2H-pyrrol-4-yl] acetate?

5-(4-chlorophenyl)-4-[hydroxy-(4-propan-2-ylphenyl)methylidene]-1-(6-methylpyridazin-3-yl)pyrrolidine-2,3-dione;4-[hydroxy-[4-(2-methoxyethoxy)phenyl]methylidene]-1-(6-methylpyridazin-3-yl)-5-[4-(trifluoromethoxy)phenyl]pyrrolidine-2,3-dione;4-[(2-methoxyethoxyamino)-(4-propan-2-ylphenyl)methylidene]-1-(6-methylpyridazin-3-yl)-5-[4-(trifluoromethoxy)phenyl]pyrrolidine-2,3-dione;[1-(6-methylpyridazin-3-yl)-5-oxo-3-(4-propan-2-ylbenzoyl)-2-[4-(trifluoromethoxy)phenyl]-2H-pyrrol-4-yl] acetate has a molecular weight of 2087.47 g/mol, XLogP of 20.16, 29 rotatable bonds, 3 hydrogen bond donors, and 28 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(4-chlorophenyl)-4-[hydroxy-(4-propan-2-ylphenyl)methylidene]-1-(6-methylpyridazin-3-yl)pyrrolidine-2,3-dione;4-[hydroxy-[4-(2-methoxyethoxy)phenyl]methylidene]-1-(6-methylpyridazin-3-yl)-5-[4-(trifluoromethoxy)phenyl]pyrrolidine-2,3-dione;4-[(2-methoxyethoxyamino)-(4-propan-2-ylphenyl)methylidene]-1-(6-methylpyridazin-3-yl)-5-[4-(trifluoromethoxy)phenyl]pyrrolidine-2,3-dione;[1-(6-methylpyridazin-3-yl)-5-oxo-3-(4-propan-2-ylbenzoyl)-2-[4-(trifluoromethoxy)phenyl]-2H-pyrrol-4-yl] acetate is sourced from PubChem (CID 159597847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).