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

C100H89F3N12O14 — CID 158759088

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

4-[hydroxy-(4-methylphenyl)methylidene]-5-(2-methoxyphenyl)-1-(6-methylpyridazin-3-yl)pyrrolidine-2,3-dione;4-[hydroxy-(4-methylphenyl)methylidene]-1-(6-methylpyridazin-3-yl)-5-(3-propan-2-ylphenyl)pyrrolidine-2,3-dione;4-[hydroxy-(4-methylphenyl)methylidene]-1-(6-methylpyridazin-3-yl)-5-(3-propoxyphenyl)pyrrolidine-2,3-dione;4-[hydroxy-(4-methylphenyl)methylidene]-1-(6-methylpyridazin-3-yl)-5-[3-(trifluoromethyl)phenyl]pyrrolidine-2,3-dione (PubChem CID 158759088) has the molecular formula C100H89F3N12O14 and a molecular weight of 1739.88 g/mol. Its IUPAC name is 4-[hydroxy-(4-methylphenyl)methylidene]-5-(2-methoxyphenyl)-1-(6-methylpyridazin-3-yl)pyrrolidine-2,3-dione;4-[hydroxy-(4-methylphenyl)methylidene]-1-(6-methylpyridazin-3-yl)-5-(3-propan-2-ylphenyl)pyrrolidine-2,3-dione;4-[hydroxy-(4-methylphenyl)methylidene]-1-(6-methylpyridazin-3-yl)-5-(3-propoxyphenyl)pyrrolidine-2,3-dione;4-[hydroxy-(4-methylphenyl)methylidene]-1-(6-methylpyridazin-3-yl)-5-[3-(trifluoromethyl)phenyl]pyrrolidine-2,3-dione.

Molecular Properties

• Compound Name: 4-[hydroxy-(4-methylphenyl)methylidene]-5-(2-methoxyphenyl)-1-(6-methylpyridazin-3-yl)pyrrolidine-2,3-dione;4-[hydroxy-(4-methylphenyl)methylidene]-1-(6-methylpyridazin-3-yl)-5-(3-propan-2-ylphenyl)pyrrolidine-2,3-dione;4-[hydroxy-(4-methylphenyl)methylidene]-1-(6-methylpyridazin-3-yl)-5-(3-propoxyphenyl)pyrrolidine-2,3-dione;4-[hydroxy-(4-methylphenyl)methylidene]-1-(6-methylpyridazin-3-yl)-5-[3-(trifluoromethyl)phenyl]pyrrolidine-2,3-dione
• PubChem CID: 158759088
• Molecular Formula: C100H89F3N12O14
• Molecular Weight: 1739.88 g/mol
• Exact Mass: 1738.66
• IUPAC Name: 4-[hydroxy-(4-methylphenyl)methylidene]-5-(2-methoxyphenyl)-1-(6-methylpyridazin-3-yl)pyrrolidine-2,3-dione;4-[hydroxy-(4-methylphenyl)methylidene]-1-(6-methylpyridazin-3-yl)-5-(3-propan-2-ylphenyl)pyrrolidine-2,3-dione;4-[hydroxy-(4-methylphenyl)methylidene]-1-(6-methylpyridazin-3-yl)-5-(3-propoxyphenyl)pyrrolidine-2,3-dione;4-[hydroxy-(4-methylphenyl)methylidene]-1-(6-methylpyridazin-3-yl)-5-[3-(trifluoromethyl)phenyl]pyrrolidine-2,3-dione
• SMILES: CCCOc1cccc(C2C(=C(O)c3ccc(C)cc3)C(=O)C(=O)N2c2ccc(C)nn2)c1.COc1ccccc1C1C(=C(O)c2ccc(C)cc2)C(=O)C(=O)N1c1ccc(C)nn1.Cc1ccc(C(O)=C2C(=O)C(=O)N(c3ccc(C)nn3)C2c2cccc(C(C)C)c2)cc1.Cc1ccc(C(O)=C2C(=O)C(=O)N(c3ccc(C)nn3)C2c2cccc(C(F)(F)F)c2)cc1
• InChI: InChI=1S/C26H25N3O4.C26H25N3O3.C24H18F3N3O3.C24H21N3O4/c1-4-14-33-20-7-5-6-19(15-20)23-22(24(30)18-11-8-16(2)9-12-18)25(31)26(32)29(23)21-13-10-17(3)27-28-21;1-15(2)19-6-5-7-20(14-19)23-22(24(30)18-11-8-16(3)9-12-18)25(31)26(32)29(23)21-13-10-17(4)27-28-21;1-13-6-9-15(10-7-13)21(31)19-20(16-4-3-5-17(12-16)24(25,26)27)30(23(33)22(19)32)18-11-8-14(2)28-29-18;1-14-8-11-16(12-9-14)22(28)20-21(17-6-4-5-7-18(17)31-3)27(24(30)23(20)29)19-13-10-15(2)25-26-19/h5-13,15,23,30H,4,14H2,1-3H3;5-15,23,30H,1-4H3;3-12,20,31H,1-2H3;4-13,21,28H,1-3H3
• InChIKey: MRQVVMIDXZMXOK-UHFFFAOYSA-N
• XLogP: 17.82
• TPSA: 352.02 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 22
• Rotatable Bonds: 17
• Heavy Atoms: 129
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1739.88
LogP ≤ 5	17.82
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	22

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

The IUPAC name of 4-[hydroxy-(4-methylphenyl)methylidene]-5-(2-methoxyphenyl)-1-(6-methylpyridazin-3-yl)pyrrolidine-2,3-dione;4-[hydroxy-(4-methylphenyl)methylidene]-1-(6-methylpyridazin-3-yl)-5-(3-propan-2-ylphenyl)pyrrolidine-2,3-dione;4-[hydroxy-(4-methylphenyl)methylidene]-1-(6-methylpyridazin-3-yl)-5-(3-propoxyphenyl)pyrrolidine-2,3-dione;4-[hydroxy-(4-methylphenyl)methylidene]-1-(6-methylpyridazin-3-yl)-5-[3-(trifluoromethyl)phenyl]pyrrolidine-2,3-dione (CID 158759088) is 4-[hydroxy-(4-methylphenyl)methylidene]-5-(2-methoxyphenyl)-1-(6-methylpyridazin-3-yl)pyrrolidine-2,3-dione;4-[hydroxy-(4-methylphenyl)methylidene]-1-(6-methylpyridazin-3-yl)-5-(3-propan-2-ylphenyl)pyrrolidine-2,3-dione;4-[hydroxy-(4-methylphenyl)methylidene]-1-(6-methylpyridazin-3-yl)-5-(3-propoxyphenyl)pyrrolidine-2,3-dione;4-[hydroxy-(4-methylphenyl)methylidene]-1-(6-methylpyridazin-3-yl)-5-[3-(trifluoromethyl)phenyl]pyrrolidine-2,3-dione.

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

The canonical SMILES for 4-[hydroxy-(4-methylphenyl)methylidene]-5-(2-methoxyphenyl)-1-(6-methylpyridazin-3-yl)pyrrolidine-2,3-dione;4-[hydroxy-(4-methylphenyl)methylidene]-1-(6-methylpyridazin-3-yl)-5-(3-propan-2-ylphenyl)pyrrolidine-2,3-dione;4-[hydroxy-(4-methylphenyl)methylidene]-1-(6-methylpyridazin-3-yl)-5-(3-propoxyphenyl)pyrrolidine-2,3-dione;4-[hydroxy-(4-methylphenyl)methylidene]-1-(6-methylpyridazin-3-yl)-5-[3-(trifluoromethyl)phenyl]pyrrolidine-2,3-dione is CCCOc1cccc(C2C(=C(O)c3ccc(C)cc3)C(=O)C(=O)N2c2ccc(C)nn2)c1.COc1ccccc1C1C(=C(O)c2ccc(C)cc2)C(=O)C(=O)N1c1ccc(C)nn1.Cc1ccc(C(O)=C2C(=O)C(=O)N(c3ccc(C)nn3)C2c2cccc(C(C)C)c2)cc1.Cc1ccc(C(O)=C2C(=O)C(=O)N(c3ccc(C)nn3)C2c2cccc(C(F)(F)F)c2)cc1.

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

The InChIKey is MRQVVMIDXZMXOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N3O4.C26H25N3O3.C24H18F3N3O3.C24H21N3O4/c1-4-14-33-20-7-5-6-19(15-20)23-22(24(30)18-11-8-16(2)9-12-18)25(31)26(32)29(23)21-13-10-17(3)27-28-21;1-15(2)19-6-5-7-20(14-19)23-22(24(30)18-11-8-16(3)9-12-18)25(31)26(32)29(23)21-13-10-17(4)27-28-21;1-13-6-9-15(10-7-13)21(31)19-20(16-4-3-5-17(12-16)24(25,26)27)30(23(33)22(19)32)18-11-8-14(2)28-29-18;1-14-8-11-16(12-9-14)22(28)20-21(17-6-4-5-7-18(17)31-3)27(24(30)23(20)29)19-13-10-15(2)25-26-19/h5-13,15,23,30H,4,14H2,1-3H3;5-15,23,30H,1-4H3;3-12,20,31H,1-2H3;4-13,21,28H,1-3H3.

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

4-[hydroxy-(4-methylphenyl)methylidene]-5-(2-methoxyphenyl)-1-(6-methylpyridazin-3-yl)pyrrolidine-2,3-dione;4-[hydroxy-(4-methylphenyl)methylidene]-1-(6-methylpyridazin-3-yl)-5-(3-propan-2-ylphenyl)pyrrolidine-2,3-dione;4-[hydroxy-(4-methylphenyl)methylidene]-1-(6-methylpyridazin-3-yl)-5-(3-propoxyphenyl)pyrrolidine-2,3-dione;4-[hydroxy-(4-methylphenyl)methylidene]-1-(6-methylpyridazin-3-yl)-5-[3-(trifluoromethyl)phenyl]pyrrolidine-2,3-dione has a molecular weight of 1739.88 g/mol, XLogP of 17.82, 17 rotatable bonds, 4 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[hydroxy-(4-methylphenyl)methylidene]-5-(2-methoxyphenyl)-1-(6-methylpyridazin-3-yl)pyrrolidine-2,3-dione;4-[hydroxy-(4-methylphenyl)methylidene]-1-(6-methylpyridazin-3-yl)-5-(3-propan-2-ylphenyl)pyrrolidine-2,3-dione;4-[hydroxy-(4-methylphenyl)methylidene]-1-(6-methylpyridazin-3-yl)-5-(3-propoxyphenyl)pyrrolidine-2,3-dione;4-[hydroxy-(4-methylphenyl)methylidene]-1-(6-methylpyridazin-3-yl)-5-[3-(trifluoromethyl)phenyl]pyrrolidine-2,3-dione is sourced from PubChem (CID 158759088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).