4-[hydroxy-(4-methoxyphenyl)methylidene]-5-(4-methoxyphenyl)-1-(6-methylpyridazin-3-yl)pyrrolidine-2,3-dione;4-[hydroxy-(4-methylphenyl)methylidene]-5-(4-methoxyphenyl)-1-(6-methylpyridazin-3-yl)pyrrolidine-2,3-dione;4-[hydroxy-[4-(trifluoromethoxy)phenyl]methylidene]-5-(4-methoxyphenyl)-1-(6-methylpyridazin-3-yl)pyrrolidine-2,3-dione;4-[hydroxy-[4-(trifluoromethoxy)phenyl]methylidene]-1-(6-methylpyridazin-3-yl)-5-(4-propan-2-ylphenyl)pyrrolidine-2,3-dione

C98H82F6N12O18 — CID 158195471

About 4-[hydroxy-(4-methoxyphenyl)methylidene]-5-(4-methoxyphenyl)-1-(6-methylpyridazin-3-yl)pyrrolidine-2,3-dione;4-[hydroxy-(4-methylphenyl)methylidene]-5-(4-methoxyphenyl)-1-(6-methylpyridazin-3-yl)pyrrolidine-2,3-dione;4-[hydroxy-[4-(trifluoromethoxy)phenyl]methylidene]-5-(4-methoxyphenyl)-1-(6-methylpyridazin-3-yl)pyrrolidine-2,3-dione;4-[hydroxy-[4-(trifluoromethoxy)phenyl]methylidene]-1-(6-methylpyridazin-3-yl)-5-(4-propan-2-ylphenyl)pyrrolidine-2,3-dione

4-[hydroxy-(4-methoxyphenyl)methylidene]-5-(4-methoxyphenyl)-1-(6-methylpyridazin-3-yl)pyrrolidine-2,3-dione;4-[hydroxy-(4-methylphenyl)methylidene]-5-(4-methoxyphenyl)-1-(6-methylpyridazin-3-yl)pyrrolidine-2,3-dione;4-[hydroxy-[4-(trifluoromethoxy)phenyl]methylidene]-5-(4-methoxyphenyl)-1-(6-methylpyridazin-3-yl)pyrrolidine-2,3-dione;4-[hydroxy-[4-(trifluoromethoxy)phenyl]methylidene]-1-(6-methylpyridazin-3-yl)-5-(4-propan-2-ylphenyl)pyrrolidine-2,3-dione (PubChem CID 158195471) has the molecular formula C98H82F6N12O18 and a molecular weight of 1829.79 g/mol. Its IUPAC name is 4-[hydroxy-(4-methoxyphenyl)methylidene]-5-(4-methoxyphenyl)-1-(6-methylpyridazin-3-yl)pyrrolidine-2,3-dione;4-[hydroxy-(4-methylphenyl)methylidene]-5-(4-methoxyphenyl)-1-(6-methylpyridazin-3-yl)pyrrolidine-2,3-dione;4-[hydroxy-[4-(trifluoromethoxy)phenyl]methylidene]-5-(4-methoxyphenyl)-1-(6-methylpyridazin-3-yl)pyrrolidine-2,3-dione;4-[hydroxy-[4-(trifluoromethoxy)phenyl]methylidene]-1-(6-methylpyridazin-3-yl)-5-(4-propan-2-ylphenyl)pyrrolidine-2,3-dione.

Molecular Properties

• Compound Name: 4-[hydroxy-(4-methoxyphenyl)methylidene]-5-(4-methoxyphenyl)-1-(6-methylpyridazin-3-yl)pyrrolidine-2,3-dione;4-[hydroxy-(4-methylphenyl)methylidene]-5-(4-methoxyphenyl)-1-(6-methylpyridazin-3-yl)pyrrolidine-2,3-dione;4-[hydroxy-[4-(trifluoromethoxy)phenyl]methylidene]-5-(4-methoxyphenyl)-1-(6-methylpyridazin-3-yl)pyrrolidine-2,3-dione;4-[hydroxy-[4-(trifluoromethoxy)phenyl]methylidene]-1-(6-methylpyridazin-3-yl)-5-(4-propan-2-ylphenyl)pyrrolidine-2,3-dione
• PubChem CID: 158195471
• Molecular Formula: C98H82F6N12O18
• Molecular Weight: 1829.79 g/mol
• Exact Mass: 1828.58
• IUPAC Name: 4-[hydroxy-(4-methoxyphenyl)methylidene]-5-(4-methoxyphenyl)-1-(6-methylpyridazin-3-yl)pyrrolidine-2,3-dione;4-[hydroxy-(4-methylphenyl)methylidene]-5-(4-methoxyphenyl)-1-(6-methylpyridazin-3-yl)pyrrolidine-2,3-dione;4-[hydroxy-[4-(trifluoromethoxy)phenyl]methylidene]-5-(4-methoxyphenyl)-1-(6-methylpyridazin-3-yl)pyrrolidine-2,3-dione;4-[hydroxy-[4-(trifluoromethoxy)phenyl]methylidene]-1-(6-methylpyridazin-3-yl)-5-(4-propan-2-ylphenyl)pyrrolidine-2,3-dione
• SMILES: COc1ccc(C(O)=C2C(=O)C(=O)N(c3ccc(C)nn3)C2c2ccc(OC)cc2)cc1.COc1ccc(C2C(=C(O)c3ccc(C)cc3)C(=O)C(=O)N2c2ccc(C)nn2)cc1.COc1ccc(C2C(=C(O)c3ccc(OC(F)(F)F)cc3)C(=O)C(=O)N2c2ccc(C)nn2)cc1.Cc1ccc(N2C(=O)C(=O)C(=C(O)c3ccc(OC(F)(F)F)cc3)C2c2ccc(C(C)C)cc2)nn1
• InChI: InChI=1S/C26H22F3N3O4.C24H18F3N3O5.C24H21N3O5.C24H21N3O4/c1-14(2)16-5-7-17(8-6-16)22-21(23(33)18-9-11-19(12-10-18)36-26(27,28)29)24(34)25(35)32(22)20-13-4-15(3)30-31-20;1-13-3-12-18(29-28-13)30-20(14-4-8-16(34-2)9-5-14)19(22(32)23(30)33)21(31)15-6-10-17(11-7-15)35-24(25,26)27;1-14-4-13-19(26-25-14)27-21(15-5-9-17(31-2)10-6-15)20(23(29)24(27)30)22(28)16-7-11-18(32-3)12-8-16;1-14-4-7-17(8-5-14)22(28)20-21(16-9-11-18(31-3)12-10-16)27(24(30)23(20)29)19-13-6-15(2)25-26-19/h4-14,22,33H,1-3H3;3-12,20,31H,1-2H3;4-13,21,28H,1-3H3;4-13,21,28H,1-3H3
• InChIKey: OPNUKPWSRONKQM-UHFFFAOYSA-N
• XLogP: 16.91
• TPSA: 388.94 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 26
• Rotatable Bonds: 19
• Heavy Atoms: 134
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1829.79
LogP ≤ 5	16.91
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	26

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 4-[hydroxy-(4-methoxyphenyl)methylidene]-5-(4-methoxyphenyl)-1-(6-methylpyridazin-3-yl)pyrrolidine-2,3-dione;4-[hydroxy-(4-methylphenyl)methylidene]-5-(4-methoxyphenyl)-1-(6-methylpyridazin-3-yl)pyrrolidine-2,3-dione;4-[hydroxy-[4-(trifluoromethoxy)phenyl]methylidene]-5-(4-methoxyphenyl)-1-(6-methylpyridazin-3-yl)pyrrolidine-2,3-dione;4-[hydroxy-[4-(trifluoromethoxy)phenyl]methylidene]-1-(6-methylpyridazin-3-yl)-5-(4-propan-2-ylphenyl)pyrrolidine-2,3-dione?

The IUPAC name of 4-[hydroxy-(4-methoxyphenyl)methylidene]-5-(4-methoxyphenyl)-1-(6-methylpyridazin-3-yl)pyrrolidine-2,3-dione;4-[hydroxy-(4-methylphenyl)methylidene]-5-(4-methoxyphenyl)-1-(6-methylpyridazin-3-yl)pyrrolidine-2,3-dione;4-[hydroxy-[4-(trifluoromethoxy)phenyl]methylidene]-5-(4-methoxyphenyl)-1-(6-methylpyridazin-3-yl)pyrrolidine-2,3-dione;4-[hydroxy-[4-(trifluoromethoxy)phenyl]methylidene]-1-(6-methylpyridazin-3-yl)-5-(4-propan-2-ylphenyl)pyrrolidine-2,3-dione (CID 158195471) is 4-[hydroxy-(4-methoxyphenyl)methylidene]-5-(4-methoxyphenyl)-1-(6-methylpyridazin-3-yl)pyrrolidine-2,3-dione;4-[hydroxy-(4-methylphenyl)methylidene]-5-(4-methoxyphenyl)-1-(6-methylpyridazin-3-yl)pyrrolidine-2,3-dione;4-[hydroxy-[4-(trifluoromethoxy)phenyl]methylidene]-5-(4-methoxyphenyl)-1-(6-methylpyridazin-3-yl)pyrrolidine-2,3-dione;4-[hydroxy-[4-(trifluoromethoxy)phenyl]methylidene]-1-(6-methylpyridazin-3-yl)-5-(4-propan-2-ylphenyl)pyrrolidine-2,3-dione.

What is the SMILES notation for 4-[hydroxy-(4-methoxyphenyl)methylidene]-5-(4-methoxyphenyl)-1-(6-methylpyridazin-3-yl)pyrrolidine-2,3-dione;4-[hydroxy-(4-methylphenyl)methylidene]-5-(4-methoxyphenyl)-1-(6-methylpyridazin-3-yl)pyrrolidine-2,3-dione;4-[hydroxy-[4-(trifluoromethoxy)phenyl]methylidene]-5-(4-methoxyphenyl)-1-(6-methylpyridazin-3-yl)pyrrolidine-2,3-dione;4-[hydroxy-[4-(trifluoromethoxy)phenyl]methylidene]-1-(6-methylpyridazin-3-yl)-5-(4-propan-2-ylphenyl)pyrrolidine-2,3-dione?

The canonical SMILES for 4-[hydroxy-(4-methoxyphenyl)methylidene]-5-(4-methoxyphenyl)-1-(6-methylpyridazin-3-yl)pyrrolidine-2,3-dione;4-[hydroxy-(4-methylphenyl)methylidene]-5-(4-methoxyphenyl)-1-(6-methylpyridazin-3-yl)pyrrolidine-2,3-dione;4-[hydroxy-[4-(trifluoromethoxy)phenyl]methylidene]-5-(4-methoxyphenyl)-1-(6-methylpyridazin-3-yl)pyrrolidine-2,3-dione;4-[hydroxy-[4-(trifluoromethoxy)phenyl]methylidene]-1-(6-methylpyridazin-3-yl)-5-(4-propan-2-ylphenyl)pyrrolidine-2,3-dione is COc1ccc(C(O)=C2C(=O)C(=O)N(c3ccc(C)nn3)C2c2ccc(OC)cc2)cc1.COc1ccc(C2C(=C(O)c3ccc(C)cc3)C(=O)C(=O)N2c2ccc(C)nn2)cc1.COc1ccc(C2C(=C(O)c3ccc(OC(F)(F)F)cc3)C(=O)C(=O)N2c2ccc(C)nn2)cc1.Cc1ccc(N2C(=O)C(=O)C(=C(O)c3ccc(OC(F)(F)F)cc3)C2c2ccc(C(C)C)cc2)nn1.

What is the InChIKey of 4-[hydroxy-(4-methoxyphenyl)methylidene]-5-(4-methoxyphenyl)-1-(6-methylpyridazin-3-yl)pyrrolidine-2,3-dione;4-[hydroxy-(4-methylphenyl)methylidene]-5-(4-methoxyphenyl)-1-(6-methylpyridazin-3-yl)pyrrolidine-2,3-dione;4-[hydroxy-[4-(trifluoromethoxy)phenyl]methylidene]-5-(4-methoxyphenyl)-1-(6-methylpyridazin-3-yl)pyrrolidine-2,3-dione;4-[hydroxy-[4-(trifluoromethoxy)phenyl]methylidene]-1-(6-methylpyridazin-3-yl)-5-(4-propan-2-ylphenyl)pyrrolidine-2,3-dione?

The InChIKey is OPNUKPWSRONKQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22F3N3O4.C24H18F3N3O5.C24H21N3O5.C24H21N3O4/c1-14(2)16-5-7-17(8-6-16)22-21(23(33)18-9-11-19(12-10-18)36-26(27,28)29)24(34)25(35)32(22)20-13-4-15(3)30-31-20;1-13-3-12-18(29-28-13)30-20(14-4-8-16(34-2)9-5-14)19(22(32)23(30)33)21(31)15-6-10-17(11-7-15)35-24(25,26)27;1-14-4-13-19(26-25-14)27-21(15-5-9-17(31-2)10-6-15)20(23(29)24(27)30)22(28)16-7-11-18(32-3)12-8-16;1-14-4-7-17(8-5-14)22(28)20-21(16-9-11-18(31-3)12-10-16)27(24(30)23(20)29)19-13-6-15(2)25-26-19/h4-14,22,33H,1-3H3;3-12,20,31H,1-2H3;4-13,21,28H,1-3H3;4-13,21,28H,1-3H3.

What are the key properties of 4-[hydroxy-(4-methoxyphenyl)methylidene]-5-(4-methoxyphenyl)-1-(6-methylpyridazin-3-yl)pyrrolidine-2,3-dione;4-[hydroxy-(4-methylphenyl)methylidene]-5-(4-methoxyphenyl)-1-(6-methylpyridazin-3-yl)pyrrolidine-2,3-dione;4-[hydroxy-[4-(trifluoromethoxy)phenyl]methylidene]-5-(4-methoxyphenyl)-1-(6-methylpyridazin-3-yl)pyrrolidine-2,3-dione;4-[hydroxy-[4-(trifluoromethoxy)phenyl]methylidene]-1-(6-methylpyridazin-3-yl)-5-(4-propan-2-ylphenyl)pyrrolidine-2,3-dione?

4-[hydroxy-(4-methoxyphenyl)methylidene]-5-(4-methoxyphenyl)-1-(6-methylpyridazin-3-yl)pyrrolidine-2,3-dione;4-[hydroxy-(4-methylphenyl)methylidene]-5-(4-methoxyphenyl)-1-(6-methylpyridazin-3-yl)pyrrolidine-2,3-dione;4-[hydroxy-[4-(trifluoromethoxy)phenyl]methylidene]-5-(4-methoxyphenyl)-1-(6-methylpyridazin-3-yl)pyrrolidine-2,3-dione;4-[hydroxy-[4-(trifluoromethoxy)phenyl]methylidene]-1-(6-methylpyridazin-3-yl)-5-(4-propan-2-ylphenyl)pyrrolidine-2,3-dione has a molecular weight of 1829.79 g/mol, XLogP of 16.91, 19 rotatable bonds, 4 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[hydroxy-(4-methoxyphenyl)methylidene]-5-(4-methoxyphenyl)-1-(6-methylpyridazin-3-yl)pyrrolidine-2,3-dione;4-[hydroxy-(4-methylphenyl)methylidene]-5-(4-methoxyphenyl)-1-(6-methylpyridazin-3-yl)pyrrolidine-2,3-dione;4-[hydroxy-[4-(trifluoromethoxy)phenyl]methylidene]-5-(4-methoxyphenyl)-1-(6-methylpyridazin-3-yl)pyrrolidine-2,3-dione;4-[hydroxy-[4-(trifluoromethoxy)phenyl]methylidene]-1-(6-methylpyridazin-3-yl)-5-(4-propan-2-ylphenyl)pyrrolidine-2,3-dione is sourced from PubChem (CID 158195471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).