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

C126H111F6N15O17 — CID 158944946

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

4-[hydroxy-(4-methylphenyl)methylidene]-5-(3-methoxyphenyl)-1-(6-methylpyridazin-3-yl)pyrrolidine-2,3-dione;4-[hydroxy-(2-methylphenyl)methylidene]-1-(6-methylpyridazin-3-yl)-5-(4-propan-2-ylphenyl)pyrrolidine-2,3-dione;4-[hydroxy-(4-methylphenyl)methylidene]-1-(6-methylpyridazin-3-yl)-5-[4-(trifluoromethoxy)phenyl]pyrrolidine-2,3-dione;4-[hydroxy-(4-methylphenyl)methylidene]-1-(6-methylpyridazin-3-yl)-5-[4-(trifluoromethyl)phenyl]pyrrolidine-2,3-dione;4-[hydroxy-(4-propan-2-ylphenyl)methylidene]-1-(6-methylpyridazin-3-yl)-5-(4-propan-2-ylphenyl)pyrrolidine-2,3-dione (PubChem CID 158944946) has the molecular formula C126H111F6N15O17 and a molecular weight of 2221.35 g/mol. Its IUPAC name is 4-[hydroxy-(4-methylphenyl)methylidene]-5-(3-methoxyphenyl)-1-(6-methylpyridazin-3-yl)pyrrolidine-2,3-dione;4-[hydroxy-(2-methylphenyl)methylidene]-1-(6-methylpyridazin-3-yl)-5-(4-propan-2-ylphenyl)pyrrolidine-2,3-dione;4-[hydroxy-(4-methylphenyl)methylidene]-1-(6-methylpyridazin-3-yl)-5-[4-(trifluoromethoxy)phenyl]pyrrolidine-2,3-dione;4-[hydroxy-(4-methylphenyl)methylidene]-1-(6-methylpyridazin-3-yl)-5-[4-(trifluoromethyl)phenyl]pyrrolidine-2,3-dione;4-[hydroxy-(4-propan-2-ylphenyl)methylidene]-1-(6-methylpyridazin-3-yl)-5-(4-propan-2-ylphenyl)pyrrolidine-2,3-dione.

Molecular Properties

• Compound Name: 4-[hydroxy-(4-methylphenyl)methylidene]-5-(3-methoxyphenyl)-1-(6-methylpyridazin-3-yl)pyrrolidine-2,3-dione;4-[hydroxy-(2-methylphenyl)methylidene]-1-(6-methylpyridazin-3-yl)-5-(4-propan-2-ylphenyl)pyrrolidine-2,3-dione;4-[hydroxy-(4-methylphenyl)methylidene]-1-(6-methylpyridazin-3-yl)-5-[4-(trifluoromethoxy)phenyl]pyrrolidine-2,3-dione;4-[hydroxy-(4-methylphenyl)methylidene]-1-(6-methylpyridazin-3-yl)-5-[4-(trifluoromethyl)phenyl]pyrrolidine-2,3-dione;4-[hydroxy-(4-propan-2-ylphenyl)methylidene]-1-(6-methylpyridazin-3-yl)-5-(4-propan-2-ylphenyl)pyrrolidine-2,3-dione
• PubChem CID: 158944946
• Molecular Formula: C126H111F6N15O17
• Molecular Weight: 2221.35 g/mol
• Exact Mass: 2219.82
• IUPAC Name: 4-[hydroxy-(4-methylphenyl)methylidene]-5-(3-methoxyphenyl)-1-(6-methylpyridazin-3-yl)pyrrolidine-2,3-dione;4-[hydroxy-(2-methylphenyl)methylidene]-1-(6-methylpyridazin-3-yl)-5-(4-propan-2-ylphenyl)pyrrolidine-2,3-dione;4-[hydroxy-(4-methylphenyl)methylidene]-1-(6-methylpyridazin-3-yl)-5-[4-(trifluoromethoxy)phenyl]pyrrolidine-2,3-dione;4-[hydroxy-(4-methylphenyl)methylidene]-1-(6-methylpyridazin-3-yl)-5-[4-(trifluoromethyl)phenyl]pyrrolidine-2,3-dione;4-[hydroxy-(4-propan-2-ylphenyl)methylidene]-1-(6-methylpyridazin-3-yl)-5-(4-propan-2-ylphenyl)pyrrolidine-2,3-dione
• SMILES: COc1cccc(C2C(=C(O)c3ccc(C)cc3)C(=O)C(=O)N2c2ccc(C)nn2)c1.Cc1ccc(C(O)=C2C(=O)C(=O)N(c3ccc(C)nn3)C2c2ccc(C(F)(F)F)cc2)cc1.Cc1ccc(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(C(C)C)cc2)nn1.Cc1ccc(N2C(=O)C(=O)C(=C(O)c3ccccc3C)C2c2ccc(C(C)C)cc2)nn1
• InChI: InChI=1S/C28H29N3O3.C26H25N3O3.C24H18F3N3O4.C24H18F3N3O3.C24H21N3O4/c1-16(2)19-7-11-21(12-8-19)25-24(26(32)22-13-9-20(10-14-22)17(3)4)27(33)28(34)31(25)23-15-6-18(5)29-30-23;1-15(2)18-10-12-19(13-11-18)23-22(24(30)20-8-6-5-7-16(20)3)25(31)26(32)29(23)21-14-9-17(4)27-28-21;1-13-3-6-16(7-4-13)21(31)19-20(15-8-10-17(11-9-15)34-24(25,26)27)30(23(33)22(19)32)18-12-5-14(2)28-29-18;1-13-3-6-16(7-4-13)21(31)19-20(15-8-10-17(11-9-15)24(25,26)27)30(23(33)22(19)32)18-12-5-14(2)28-29-18;1-14-7-10-16(11-8-14)22(28)20-21(17-5-4-6-18(13-17)31-3)27(24(30)23(20)29)19-12-9-15(2)25-26-19/h6-17,25,32H,1-5H3;5-15,23,30H,1-4H3;3-12,20,31H,1-2H3;3-12,20,31H,1-2H3;4-13,21,28H,1-3H3
• InChIKey: PHRYDVNLILOMJN-UHFFFAOYSA-N
• XLogP: 23.59
• TPSA: 435.41 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 27
• Rotatable Bonds: 20
• Heavy Atoms: 164
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2221.35
LogP ≤ 5	23.59
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	27

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

The IUPAC name of 4-[hydroxy-(4-methylphenyl)methylidene]-5-(3-methoxyphenyl)-1-(6-methylpyridazin-3-yl)pyrrolidine-2,3-dione;4-[hydroxy-(2-methylphenyl)methylidene]-1-(6-methylpyridazin-3-yl)-5-(4-propan-2-ylphenyl)pyrrolidine-2,3-dione;4-[hydroxy-(4-methylphenyl)methylidene]-1-(6-methylpyridazin-3-yl)-5-[4-(trifluoromethoxy)phenyl]pyrrolidine-2,3-dione;4-[hydroxy-(4-methylphenyl)methylidene]-1-(6-methylpyridazin-3-yl)-5-[4-(trifluoromethyl)phenyl]pyrrolidine-2,3-dione;4-[hydroxy-(4-propan-2-ylphenyl)methylidene]-1-(6-methylpyridazin-3-yl)-5-(4-propan-2-ylphenyl)pyrrolidine-2,3-dione (CID 158944946) is 4-[hydroxy-(4-methylphenyl)methylidene]-5-(3-methoxyphenyl)-1-(6-methylpyridazin-3-yl)pyrrolidine-2,3-dione;4-[hydroxy-(2-methylphenyl)methylidene]-1-(6-methylpyridazin-3-yl)-5-(4-propan-2-ylphenyl)pyrrolidine-2,3-dione;4-[hydroxy-(4-methylphenyl)methylidene]-1-(6-methylpyridazin-3-yl)-5-[4-(trifluoromethoxy)phenyl]pyrrolidine-2,3-dione;4-[hydroxy-(4-methylphenyl)methylidene]-1-(6-methylpyridazin-3-yl)-5-[4-(trifluoromethyl)phenyl]pyrrolidine-2,3-dione;4-[hydroxy-(4-propan-2-ylphenyl)methylidene]-1-(6-methylpyridazin-3-yl)-5-(4-propan-2-ylphenyl)pyrrolidine-2,3-dione.

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

The canonical SMILES for 4-[hydroxy-(4-methylphenyl)methylidene]-5-(3-methoxyphenyl)-1-(6-methylpyridazin-3-yl)pyrrolidine-2,3-dione;4-[hydroxy-(2-methylphenyl)methylidene]-1-(6-methylpyridazin-3-yl)-5-(4-propan-2-ylphenyl)pyrrolidine-2,3-dione;4-[hydroxy-(4-methylphenyl)methylidene]-1-(6-methylpyridazin-3-yl)-5-[4-(trifluoromethoxy)phenyl]pyrrolidine-2,3-dione;4-[hydroxy-(4-methylphenyl)methylidene]-1-(6-methylpyridazin-3-yl)-5-[4-(trifluoromethyl)phenyl]pyrrolidine-2,3-dione;4-[hydroxy-(4-propan-2-ylphenyl)methylidene]-1-(6-methylpyridazin-3-yl)-5-(4-propan-2-ylphenyl)pyrrolidine-2,3-dione is COc1cccc(C2C(=C(O)c3ccc(C)cc3)C(=O)C(=O)N2c2ccc(C)nn2)c1.Cc1ccc(C(O)=C2C(=O)C(=O)N(c3ccc(C)nn3)C2c2ccc(C(F)(F)F)cc2)cc1.Cc1ccc(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(C(C)C)cc2)nn1.Cc1ccc(N2C(=O)C(=O)C(=C(O)c3ccccc3C)C2c2ccc(C(C)C)cc2)nn1.

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

The InChIKey is PHRYDVNLILOMJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H29N3O3.C26H25N3O3.C24H18F3N3O4.C24H18F3N3O3.C24H21N3O4/c1-16(2)19-7-11-21(12-8-19)25-24(26(32)22-13-9-20(10-14-22)17(3)4)27(33)28(34)31(25)23-15-6-18(5)29-30-23;1-15(2)18-10-12-19(13-11-18)23-22(24(30)20-8-6-5-7-16(20)3)25(31)26(32)29(23)21-14-9-17(4)27-28-21;1-13-3-6-16(7-4-13)21(31)19-20(15-8-10-17(11-9-15)34-24(25,26)27)30(23(33)22(19)32)18-12-5-14(2)28-29-18;1-13-3-6-16(7-4-13)21(31)19-20(15-8-10-17(11-9-15)24(25,26)27)30(23(33)22(19)32)18-12-5-14(2)28-29-18;1-14-7-10-16(11-8-14)22(28)20-21(17-5-4-6-18(13-17)31-3)27(24(30)23(20)29)19-12-9-15(2)25-26-19/h6-17,25,32H,1-5H3;5-15,23,30H,1-4H3;3-12,20,31H,1-2H3;3-12,20,31H,1-2H3;4-13,21,28H,1-3H3.

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

4-[hydroxy-(4-methylphenyl)methylidene]-5-(3-methoxyphenyl)-1-(6-methylpyridazin-3-yl)pyrrolidine-2,3-dione;4-[hydroxy-(2-methylphenyl)methylidene]-1-(6-methylpyridazin-3-yl)-5-(4-propan-2-ylphenyl)pyrrolidine-2,3-dione;4-[hydroxy-(4-methylphenyl)methylidene]-1-(6-methylpyridazin-3-yl)-5-[4-(trifluoromethoxy)phenyl]pyrrolidine-2,3-dione;4-[hydroxy-(4-methylphenyl)methylidene]-1-(6-methylpyridazin-3-yl)-5-[4-(trifluoromethyl)phenyl]pyrrolidine-2,3-dione;4-[hydroxy-(4-propan-2-ylphenyl)methylidene]-1-(6-methylpyridazin-3-yl)-5-(4-propan-2-ylphenyl)pyrrolidine-2,3-dione has a molecular weight of 2221.35 g/mol, XLogP of 23.59, 20 rotatable bonds, 5 hydrogen bond donors, and 27 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[hydroxy-(4-methylphenyl)methylidene]-5-(3-methoxyphenyl)-1-(6-methylpyridazin-3-yl)pyrrolidine-2,3-dione;4-[hydroxy-(2-methylphenyl)methylidene]-1-(6-methylpyridazin-3-yl)-5-(4-propan-2-ylphenyl)pyrrolidine-2,3-dione;4-[hydroxy-(4-methylphenyl)methylidene]-1-(6-methylpyridazin-3-yl)-5-[4-(trifluoromethoxy)phenyl]pyrrolidine-2,3-dione;4-[hydroxy-(4-methylphenyl)methylidene]-1-(6-methylpyridazin-3-yl)-5-[4-(trifluoromethyl)phenyl]pyrrolidine-2,3-dione;4-[hydroxy-(4-propan-2-ylphenyl)methylidene]-1-(6-methylpyridazin-3-yl)-5-(4-propan-2-ylphenyl)pyrrolidine-2,3-dione is sourced from PubChem (CID 158944946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).