5-(4-acetylphenyl)-4-[hydroxy-(4-propan-2-ylphenyl)methylidene]-1-(6-methylpyridazin-3-yl)pyrrolidine-2,3-dione;4-[(4-tert-butylphenyl)-hydroxymethylidene]-1-(6-methylpyridazin-3-yl)-5-[4-(trifluoromethoxy)phenyl]pyrrolidine-2,3-dione;4-[(4-cyclohexylphenyl)-hydroxymethylidene]-1-(6-methylpyridazin-3-yl)-5-[4-(trifluoromethoxy)phenyl]pyrrolidine-2,3-dione;4-[hydroxy-(4-propan-2-ylphenyl)methylidene]-1-(6-methylpyridazin-3-yl)-5-pyridin-4-ylpyrrolidine-2,3-dione;4-[hydroxy-[6-(trifluoromethyl)-3-pyridinyl]methylidene]-1-(6-methylpyridazin-3-yl)-5-[4-(trifluoromethoxy)phenyl]pyrrolidine-2,3-dione

C130H111F12N17O19 — CID 159643871

About 5-(4-acetylphenyl)-4-[hydroxy-(4-propan-2-ylphenyl)methylidene]-1-(6-methylpyridazin-3-yl)pyrrolidine-2,3-dione;4-[(4-tert-butylphenyl)-hydroxymethylidene]-1-(6-methylpyridazin-3-yl)-5-[4-(trifluoromethoxy)phenyl]pyrrolidine-2,3-dione;4-[(4-cyclohexylphenyl)-hydroxymethylidene]-1-(6-methylpyridazin-3-yl)-5-[4-(trifluoromethoxy)phenyl]pyrrolidine-2,3-dione;4-[hydroxy-(4-propan-2-ylphenyl)methylidene]-1-(6-methylpyridazin-3-yl)-5-pyridin-4-ylpyrrolidine-2,3-dione;4-[hydroxy-[6-(trifluoromethyl)-3-pyridinyl]methylidene]-1-(6-methylpyridazin-3-yl)-5-[4-(trifluoromethoxy)phenyl]pyrrolidine-2,3-dione

5-(4-acetylphenyl)-4-[hydroxy-(4-propan-2-ylphenyl)methylidene]-1-(6-methylpyridazin-3-yl)pyrrolidine-2,3-dione;4-[(4-tert-butylphenyl)-hydroxymethylidene]-1-(6-methylpyridazin-3-yl)-5-[4-(trifluoromethoxy)phenyl]pyrrolidine-2,3-dione;4-[(4-cyclohexylphenyl)-hydroxymethylidene]-1-(6-methylpyridazin-3-yl)-5-[4-(trifluoromethoxy)phenyl]pyrrolidine-2,3-dione;4-[hydroxy-(4-propan-2-ylphenyl)methylidene]-1-(6-methylpyridazin-3-yl)-5-pyridin-4-ylpyrrolidine-2,3-dione;4-[hydroxy-[6-(trifluoromethyl)-3-pyridinyl]methylidene]-1-(6-methylpyridazin-3-yl)-5-[4-(trifluoromethoxy)phenyl]pyrrolidine-2,3-dione (PubChem CID 159643871) has the molecular formula C130H111F12N17O19 and a molecular weight of 2443.39 g/mol. Its IUPAC name is 5-(4-acetylphenyl)-4-[hydroxy-(4-propan-2-ylphenyl)methylidene]-1-(6-methylpyridazin-3-yl)pyrrolidine-2,3-dione;4-[(4-tert-butylphenyl)-hydroxymethylidene]-1-(6-methylpyridazin-3-yl)-5-[4-(trifluoromethoxy)phenyl]pyrrolidine-2,3-dione;4-[(4-cyclohexylphenyl)-hydroxymethylidene]-1-(6-methylpyridazin-3-yl)-5-[4-(trifluoromethoxy)phenyl]pyrrolidine-2,3-dione;4-[hydroxy-(4-propan-2-ylphenyl)methylidene]-1-(6-methylpyridazin-3-yl)-5-pyridin-4-ylpyrrolidine-2,3-dione;4-[hydroxy-[6-(trifluoromethyl)-3-pyridinyl]methylidene]-1-(6-methylpyridazin-3-yl)-5-[4-(trifluoromethoxy)phenyl]pyrrolidine-2,3-dione.

Molecular Properties

• Compound Name: 5-(4-acetylphenyl)-4-[hydroxy-(4-propan-2-ylphenyl)methylidene]-1-(6-methylpyridazin-3-yl)pyrrolidine-2,3-dione;4-[(4-tert-butylphenyl)-hydroxymethylidene]-1-(6-methylpyridazin-3-yl)-5-[4-(trifluoromethoxy)phenyl]pyrrolidine-2,3-dione;4-[(4-cyclohexylphenyl)-hydroxymethylidene]-1-(6-methylpyridazin-3-yl)-5-[4-(trifluoromethoxy)phenyl]pyrrolidine-2,3-dione;4-[hydroxy-(4-propan-2-ylphenyl)methylidene]-1-(6-methylpyridazin-3-yl)-5-pyridin-4-ylpyrrolidine-2,3-dione;4-[hydroxy-[6-(trifluoromethyl)-3-pyridinyl]methylidene]-1-(6-methylpyridazin-3-yl)-5-[4-(trifluoromethoxy)phenyl]pyrrolidine-2,3-dione
• PubChem CID: 159643871
• Molecular Formula: C130H111F12N17O19
• Molecular Weight: 2443.39 g/mol
• Exact Mass: 2441.81
• IUPAC Name: 5-(4-acetylphenyl)-4-[hydroxy-(4-propan-2-ylphenyl)methylidene]-1-(6-methylpyridazin-3-yl)pyrrolidine-2,3-dione;4-[(4-tert-butylphenyl)-hydroxymethylidene]-1-(6-methylpyridazin-3-yl)-5-[4-(trifluoromethoxy)phenyl]pyrrolidine-2,3-dione;4-[(4-cyclohexylphenyl)-hydroxymethylidene]-1-(6-methylpyridazin-3-yl)-5-[4-(trifluoromethoxy)phenyl]pyrrolidine-2,3-dione;4-[hydroxy-(4-propan-2-ylphenyl)methylidene]-1-(6-methylpyridazin-3-yl)-5-pyridin-4-ylpyrrolidine-2,3-dione;4-[hydroxy-[6-(trifluoromethyl)-3-pyridinyl]methylidene]-1-(6-methylpyridazin-3-yl)-5-[4-(trifluoromethoxy)phenyl]pyrrolidine-2,3-dione
• SMILES: CC(=O)c1ccc(C2C(=C(O)c3ccc(C(C)C)cc3)C(=O)C(=O)N2c2ccc(C)nn2)cc1.Cc1ccc(N2C(=O)C(=O)C(=C(O)c3ccc(C(C)(C)C)cc3)C2c2ccc(OC(F)(F)F)cc2)nn1.Cc1ccc(N2C(=O)C(=O)C(=C(O)c3ccc(C(C)C)cc3)C2c2ccncc2)nn1.Cc1ccc(N2C(=O)C(=O)C(=C(O)c3ccc(C(F)(F)F)nc3)C2c2ccc(OC(F)(F)F)cc2)nn1.Cc1ccc(N2C(=O)C(=O)C(=C(O)c3ccc(C4CCCCC4)cc3)C2c2ccc(OC(F)(F)F)cc2)nn1
• InChI: InChI=1S/C29H26F3N3O4.C27H24F3N3O4.C27H25N3O4.C24H22N4O3.C23H14F6N4O4/c1-17-7-16-23(34-33-17)35-25(20-12-14-22(15-13-20)39-29(30,31)32)24(27(37)28(35)38)26(36)21-10-8-19(9-11-21)18-5-3-2-4-6-18;1-15-5-14-20(32-31-15)33-22(16-8-12-19(13-9-16)37-27(28,29)30)21(24(35)25(33)36)23(34)17-6-10-18(11-7-17)26(2,3)4;1-15(2)18-6-12-21(13-7-18)25(32)23-24(20-10-8-19(9-11-20)17(4)31)30(27(34)26(23)33)22-14-5-16(3)28-29-22;1-14(2)16-5-7-18(8-6-16)22(29)20-21(17-10-12-25-13-11-17)28(24(31)23(20)30)19-9-4-15(3)26-27-19;1-11-2-9-16(32-31-11)33-18(12-3-6-14(7-4-12)37-23(27,28)29)17(20(35)21(33)36)19(34)13-5-8-15(30-10-13)22(24,25)26/h7-16,18,25,36H,2-6H2,1H3;5-14,22,34H,1-4H3;5-15,24,32H,1-4H3;4-14,21,29H,1-3H3;2-10,18,34H,1H3
• InChIKey: KXDFVYDRSWURND-UHFFFAOYSA-N
• XLogP: 25.36
• TPSA: 487.49 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 31
• Rotatable Bonds: 22
• Heavy Atoms: 178
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2443.39
LogP ≤ 5	25.36
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	31

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5-(4-acetylphenyl)-4-[hydroxy-(4-propan-2-ylphenyl)methylidene]-1-(6-methylpyridazin-3-yl)pyrrolidine-2,3-dione;4-[(4-tert-butylphenyl)-hydroxymethylidene]-1-(6-methylpyridazin-3-yl)-5-[4-(trifluoromethoxy)phenyl]pyrrolidine-2,3-dione;4-[(4-cyclohexylphenyl)-hydroxymethylidene]-1-(6-methylpyridazin-3-yl)-5-[4-(trifluoromethoxy)phenyl]pyrrolidine-2,3-dione;4-[hydroxy-(4-propan-2-ylphenyl)methylidene]-1-(6-methylpyridazin-3-yl)-5-pyridin-4-ylpyrrolidine-2,3-dione;4-[hydroxy-[6-(trifluoromethyl)-3-pyridinyl]methylidene]-1-(6-methylpyridazin-3-yl)-5-[4-(trifluoromethoxy)phenyl]pyrrolidine-2,3-dione?

The IUPAC name of 5-(4-acetylphenyl)-4-[hydroxy-(4-propan-2-ylphenyl)methylidene]-1-(6-methylpyridazin-3-yl)pyrrolidine-2,3-dione;4-[(4-tert-butylphenyl)-hydroxymethylidene]-1-(6-methylpyridazin-3-yl)-5-[4-(trifluoromethoxy)phenyl]pyrrolidine-2,3-dione;4-[(4-cyclohexylphenyl)-hydroxymethylidene]-1-(6-methylpyridazin-3-yl)-5-[4-(trifluoromethoxy)phenyl]pyrrolidine-2,3-dione;4-[hydroxy-(4-propan-2-ylphenyl)methylidene]-1-(6-methylpyridazin-3-yl)-5-pyridin-4-ylpyrrolidine-2,3-dione;4-[hydroxy-[6-(trifluoromethyl)-3-pyridinyl]methylidene]-1-(6-methylpyridazin-3-yl)-5-[4-(trifluoromethoxy)phenyl]pyrrolidine-2,3-dione (CID 159643871) is 5-(4-acetylphenyl)-4-[hydroxy-(4-propan-2-ylphenyl)methylidene]-1-(6-methylpyridazin-3-yl)pyrrolidine-2,3-dione;4-[(4-tert-butylphenyl)-hydroxymethylidene]-1-(6-methylpyridazin-3-yl)-5-[4-(trifluoromethoxy)phenyl]pyrrolidine-2,3-dione;4-[(4-cyclohexylphenyl)-hydroxymethylidene]-1-(6-methylpyridazin-3-yl)-5-[4-(trifluoromethoxy)phenyl]pyrrolidine-2,3-dione;4-[hydroxy-(4-propan-2-ylphenyl)methylidene]-1-(6-methylpyridazin-3-yl)-5-pyridin-4-ylpyrrolidine-2,3-dione;4-[hydroxy-[6-(trifluoromethyl)-3-pyridinyl]methylidene]-1-(6-methylpyridazin-3-yl)-5-[4-(trifluoromethoxy)phenyl]pyrrolidine-2,3-dione.

What is the SMILES notation for 5-(4-acetylphenyl)-4-[hydroxy-(4-propan-2-ylphenyl)methylidene]-1-(6-methylpyridazin-3-yl)pyrrolidine-2,3-dione;4-[(4-tert-butylphenyl)-hydroxymethylidene]-1-(6-methylpyridazin-3-yl)-5-[4-(trifluoromethoxy)phenyl]pyrrolidine-2,3-dione;4-[(4-cyclohexylphenyl)-hydroxymethylidene]-1-(6-methylpyridazin-3-yl)-5-[4-(trifluoromethoxy)phenyl]pyrrolidine-2,3-dione;4-[hydroxy-(4-propan-2-ylphenyl)methylidene]-1-(6-methylpyridazin-3-yl)-5-pyridin-4-ylpyrrolidine-2,3-dione;4-[hydroxy-[6-(trifluoromethyl)-3-pyridinyl]methylidene]-1-(6-methylpyridazin-3-yl)-5-[4-(trifluoromethoxy)phenyl]pyrrolidine-2,3-dione?

The canonical SMILES for 5-(4-acetylphenyl)-4-[hydroxy-(4-propan-2-ylphenyl)methylidene]-1-(6-methylpyridazin-3-yl)pyrrolidine-2,3-dione;4-[(4-tert-butylphenyl)-hydroxymethylidene]-1-(6-methylpyridazin-3-yl)-5-[4-(trifluoromethoxy)phenyl]pyrrolidine-2,3-dione;4-[(4-cyclohexylphenyl)-hydroxymethylidene]-1-(6-methylpyridazin-3-yl)-5-[4-(trifluoromethoxy)phenyl]pyrrolidine-2,3-dione;4-[hydroxy-(4-propan-2-ylphenyl)methylidene]-1-(6-methylpyridazin-3-yl)-5-pyridin-4-ylpyrrolidine-2,3-dione;4-[hydroxy-[6-(trifluoromethyl)-3-pyridinyl]methylidene]-1-(6-methylpyridazin-3-yl)-5-[4-(trifluoromethoxy)phenyl]pyrrolidine-2,3-dione is CC(=O)c1ccc(C2C(=C(O)c3ccc(C(C)C)cc3)C(=O)C(=O)N2c2ccc(C)nn2)cc1.Cc1ccc(N2C(=O)C(=O)C(=C(O)c3ccc(C(C)(C)C)cc3)C2c2ccc(OC(F)(F)F)cc2)nn1.Cc1ccc(N2C(=O)C(=O)C(=C(O)c3ccc(C(C)C)cc3)C2c2ccncc2)nn1.Cc1ccc(N2C(=O)C(=O)C(=C(O)c3ccc(C(F)(F)F)nc3)C2c2ccc(OC(F)(F)F)cc2)nn1.Cc1ccc(N2C(=O)C(=O)C(=C(O)c3ccc(C4CCCCC4)cc3)C2c2ccc(OC(F)(F)F)cc2)nn1.

What is the InChIKey of 5-(4-acetylphenyl)-4-[hydroxy-(4-propan-2-ylphenyl)methylidene]-1-(6-methylpyridazin-3-yl)pyrrolidine-2,3-dione;4-[(4-tert-butylphenyl)-hydroxymethylidene]-1-(6-methylpyridazin-3-yl)-5-[4-(trifluoromethoxy)phenyl]pyrrolidine-2,3-dione;4-[(4-cyclohexylphenyl)-hydroxymethylidene]-1-(6-methylpyridazin-3-yl)-5-[4-(trifluoromethoxy)phenyl]pyrrolidine-2,3-dione;4-[hydroxy-(4-propan-2-ylphenyl)methylidene]-1-(6-methylpyridazin-3-yl)-5-pyridin-4-ylpyrrolidine-2,3-dione;4-[hydroxy-[6-(trifluoromethyl)-3-pyridinyl]methylidene]-1-(6-methylpyridazin-3-yl)-5-[4-(trifluoromethoxy)phenyl]pyrrolidine-2,3-dione?

The InChIKey is KXDFVYDRSWURND-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H26F3N3O4.C27H24F3N3O4.C27H25N3O4.C24H22N4O3.C23H14F6N4O4/c1-17-7-16-23(34-33-17)35-25(20-12-14-22(15-13-20)39-29(30,31)32)24(27(37)28(35)38)26(36)21-10-8-19(9-11-21)18-5-3-2-4-6-18;1-15-5-14-20(32-31-15)33-22(16-8-12-19(13-9-16)37-27(28,29)30)21(24(35)25(33)36)23(34)17-6-10-18(11-7-17)26(2,3)4;1-15(2)18-6-12-21(13-7-18)25(32)23-24(20-10-8-19(9-11-20)17(4)31)30(27(34)26(23)33)22-14-5-16(3)28-29-22;1-14(2)16-5-7-18(8-6-16)22(29)20-21(17-10-12-25-13-11-17)28(24(31)23(20)30)19-9-4-15(3)26-27-19;1-11-2-9-16(32-31-11)33-18(12-3-6-14(7-4-12)37-23(27,28)29)17(20(35)21(33)36)19(34)13-5-8-15(30-10-13)22(24,25)26/h7-16,18,25,36H,2-6H2,1H3;5-14,22,34H,1-4H3;5-15,24,32H,1-4H3;4-14,21,29H,1-3H3;2-10,18,34H,1H3.

What are the key properties of 5-(4-acetylphenyl)-4-[hydroxy-(4-propan-2-ylphenyl)methylidene]-1-(6-methylpyridazin-3-yl)pyrrolidine-2,3-dione;4-[(4-tert-butylphenyl)-hydroxymethylidene]-1-(6-methylpyridazin-3-yl)-5-[4-(trifluoromethoxy)phenyl]pyrrolidine-2,3-dione;4-[(4-cyclohexylphenyl)-hydroxymethylidene]-1-(6-methylpyridazin-3-yl)-5-[4-(trifluoromethoxy)phenyl]pyrrolidine-2,3-dione;4-[hydroxy-(4-propan-2-ylphenyl)methylidene]-1-(6-methylpyridazin-3-yl)-5-pyridin-4-ylpyrrolidine-2,3-dione;4-[hydroxy-[6-(trifluoromethyl)-3-pyridinyl]methylidene]-1-(6-methylpyridazin-3-yl)-5-[4-(trifluoromethoxy)phenyl]pyrrolidine-2,3-dione?

5-(4-acetylphenyl)-4-[hydroxy-(4-propan-2-ylphenyl)methylidene]-1-(6-methylpyridazin-3-yl)pyrrolidine-2,3-dione;4-[(4-tert-butylphenyl)-hydroxymethylidene]-1-(6-methylpyridazin-3-yl)-5-[4-(trifluoromethoxy)phenyl]pyrrolidine-2,3-dione;4-[(4-cyclohexylphenyl)-hydroxymethylidene]-1-(6-methylpyridazin-3-yl)-5-[4-(trifluoromethoxy)phenyl]pyrrolidine-2,3-dione;4-[hydroxy-(4-propan-2-ylphenyl)methylidene]-1-(6-methylpyridazin-3-yl)-5-pyridin-4-ylpyrrolidine-2,3-dione;4-[hydroxy-[6-(trifluoromethyl)-3-pyridinyl]methylidene]-1-(6-methylpyridazin-3-yl)-5-[4-(trifluoromethoxy)phenyl]pyrrolidine-2,3-dione has a molecular weight of 2443.39 g/mol, XLogP of 25.36, 22 rotatable bonds, 5 hydrogen bond donors, and 31 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(4-acetylphenyl)-4-[hydroxy-(4-propan-2-ylphenyl)methylidene]-1-(6-methylpyridazin-3-yl)pyrrolidine-2,3-dione;4-[(4-tert-butylphenyl)-hydroxymethylidene]-1-(6-methylpyridazin-3-yl)-5-[4-(trifluoromethoxy)phenyl]pyrrolidine-2,3-dione;4-[(4-cyclohexylphenyl)-hydroxymethylidene]-1-(6-methylpyridazin-3-yl)-5-[4-(trifluoromethoxy)phenyl]pyrrolidine-2,3-dione;4-[hydroxy-(4-propan-2-ylphenyl)methylidene]-1-(6-methylpyridazin-3-yl)-5-pyridin-4-ylpyrrolidine-2,3-dione;4-[hydroxy-[6-(trifluoromethyl)-3-pyridinyl]methylidene]-1-(6-methylpyridazin-3-yl)-5-[4-(trifluoromethoxy)phenyl]pyrrolidine-2,3-dione is sourced from PubChem (CID 159643871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).