4-[(4-ethoxyphenyl)-hydroxymethylidene]-1-(6-methylpyridazin-3-yl)-5-[4-(trifluoromethoxy)phenyl]pyrrolidine-2,3-dione;5-(6-ethoxy-3-pyridinyl)-4-[hydroxy-(4-propan-2-ylphenyl)methylidene]-1-(6-methylpyridazin-3-yl)pyrrolidine-2,3-dione;4-[(4-ethylphenyl)-hydroxymethylidene]-1-(6-methylpyridazin-3-yl)-5-[4-(trifluoromethoxy)phenyl]pyrrolidine-2,3-dione;4-[hydroxy-(4-methoxyphenyl)methylidene]-1-(6-methylpyridazin-3-yl)-5-(4-propan-2-yloxyphenyl)pyrrolidine-2,3-dione;4-[hydroxy(pyridin-4-yl)methylidene]-1-(6-methylpyridazin-3-yl)-5-[4-(trifluoromethoxy)phenyl]pyrrolidine-2,3-dione

C124H106F9N17O22 — CID 159342133

About 4-[(4-ethoxyphenyl)-hydroxymethylidene]-1-(6-methylpyridazin-3-yl)-5-[4-(trifluoromethoxy)phenyl]pyrrolidine-2,3-dione;5-(6-ethoxy-3-pyridinyl)-4-[hydroxy-(4-propan-2-ylphenyl)methylidene]-1-(6-methylpyridazin-3-yl)pyrrolidine-2,3-dione;4-[(4-ethylphenyl)-hydroxymethylidene]-1-(6-methylpyridazin-3-yl)-5-[4-(trifluoromethoxy)phenyl]pyrrolidine-2,3-dione;4-[hydroxy-(4-methoxyphenyl)methylidene]-1-(6-methylpyridazin-3-yl)-5-(4-propan-2-yloxyphenyl)pyrrolidine-2,3-dione;4-[hydroxy(pyridin-4-yl)methylidene]-1-(6-methylpyridazin-3-yl)-5-[4-(trifluoromethoxy)phenyl]pyrrolidine-2,3-dione

4-[(4-ethoxyphenyl)-hydroxymethylidene]-1-(6-methylpyridazin-3-yl)-5-[4-(trifluoromethoxy)phenyl]pyrrolidine-2,3-dione;5-(6-ethoxy-3-pyridinyl)-4-[hydroxy-(4-propan-2-ylphenyl)methylidene]-1-(6-methylpyridazin-3-yl)pyrrolidine-2,3-dione;4-[(4-ethylphenyl)-hydroxymethylidene]-1-(6-methylpyridazin-3-yl)-5-[4-(trifluoromethoxy)phenyl]pyrrolidine-2,3-dione;4-[hydroxy-(4-methoxyphenyl)methylidene]-1-(6-methylpyridazin-3-yl)-5-(4-propan-2-yloxyphenyl)pyrrolidine-2,3-dione;4-[hydroxy(pyridin-4-yl)methylidene]-1-(6-methylpyridazin-3-yl)-5-[4-(trifluoromethoxy)phenyl]pyrrolidine-2,3-dione (PubChem CID 159342133) has the molecular formula C124H106F9N17O22 and a molecular weight of 2357.29 g/mol. Its IUPAC name is 4-[(4-ethoxyphenyl)-hydroxymethylidene]-1-(6-methylpyridazin-3-yl)-5-[4-(trifluoromethoxy)phenyl]pyrrolidine-2,3-dione;5-(6-ethoxy-3-pyridinyl)-4-[hydroxy-(4-propan-2-ylphenyl)methylidene]-1-(6-methylpyridazin-3-yl)pyrrolidine-2,3-dione;4-[(4-ethylphenyl)-hydroxymethylidene]-1-(6-methylpyridazin-3-yl)-5-[4-(trifluoromethoxy)phenyl]pyrrolidine-2,3-dione;4-[hydroxy-(4-methoxyphenyl)methylidene]-1-(6-methylpyridazin-3-yl)-5-(4-propan-2-yloxyphenyl)pyrrolidine-2,3-dione;4-[hydroxy(pyridin-4-yl)methylidene]-1-(6-methylpyridazin-3-yl)-5-[4-(trifluoromethoxy)phenyl]pyrrolidine-2,3-dione.

Molecular Properties

• Compound Name: 4-[(4-ethoxyphenyl)-hydroxymethylidene]-1-(6-methylpyridazin-3-yl)-5-[4-(trifluoromethoxy)phenyl]pyrrolidine-2,3-dione;5-(6-ethoxy-3-pyridinyl)-4-[hydroxy-(4-propan-2-ylphenyl)methylidene]-1-(6-methylpyridazin-3-yl)pyrrolidine-2,3-dione;4-[(4-ethylphenyl)-hydroxymethylidene]-1-(6-methylpyridazin-3-yl)-5-[4-(trifluoromethoxy)phenyl]pyrrolidine-2,3-dione;4-[hydroxy-(4-methoxyphenyl)methylidene]-1-(6-methylpyridazin-3-yl)-5-(4-propan-2-yloxyphenyl)pyrrolidine-2,3-dione;4-[hydroxy(pyridin-4-yl)methylidene]-1-(6-methylpyridazin-3-yl)-5-[4-(trifluoromethoxy)phenyl]pyrrolidine-2,3-dione
• PubChem CID: 159342133
• Molecular Formula: C124H106F9N17O22
• Molecular Weight: 2357.29 g/mol
• Exact Mass: 2355.76
• IUPAC Name: 4-[(4-ethoxyphenyl)-hydroxymethylidene]-1-(6-methylpyridazin-3-yl)-5-[4-(trifluoromethoxy)phenyl]pyrrolidine-2,3-dione;5-(6-ethoxy-3-pyridinyl)-4-[hydroxy-(4-propan-2-ylphenyl)methylidene]-1-(6-methylpyridazin-3-yl)pyrrolidine-2,3-dione;4-[(4-ethylphenyl)-hydroxymethylidene]-1-(6-methylpyridazin-3-yl)-5-[4-(trifluoromethoxy)phenyl]pyrrolidine-2,3-dione;4-[hydroxy-(4-methoxyphenyl)methylidene]-1-(6-methylpyridazin-3-yl)-5-(4-propan-2-yloxyphenyl)pyrrolidine-2,3-dione;4-[hydroxy(pyridin-4-yl)methylidene]-1-(6-methylpyridazin-3-yl)-5-[4-(trifluoromethoxy)phenyl]pyrrolidine-2,3-dione
• SMILES: CCOc1ccc(C(O)=C2C(=O)C(=O)N(c3ccc(C)nn3)C2c2ccc(OC(F)(F)F)cc2)cc1.CCOc1ccc(C2C(=C(O)c3ccc(C(C)C)cc3)C(=O)C(=O)N2c2ccc(C)nn2)cn1.CCc1ccc(C(O)=C2C(=O)C(=O)N(c3ccc(C)nn3)C2c2ccc(OC(F)(F)F)cc2)cc1.COc1ccc(C(O)=C2C(=O)C(=O)N(c3ccc(C)nn3)C2c2ccc(OC(C)C)cc2)cc1.Cc1ccc(N2C(=O)C(=O)C(=C(O)c3ccncc3)C2c2ccc(OC(F)(F)F)cc2)nn1
• InChI: InChI=1S/C26H26N4O4.C26H25N3O5.C25H20F3N3O5.C25H20F3N3O4.C22H15F3N4O4/c1-5-34-21-13-11-19(14-27-21)23-22(24(31)18-9-7-17(8-10-18)15(2)3)25(32)26(33)30(23)20-12-6-16(4)28-29-20;1-15(2)34-20-12-6-17(7-13-20)23-22(24(30)18-8-10-19(33-4)11-9-18)25(31)26(32)29(23)21-14-5-16(3)27-28-21;1-3-35-17-9-7-16(8-10-17)22(32)20-21(15-5-11-18(12-6-15)36-25(26,27)28)31(24(34)23(20)33)19-13-4-14(2)29-30-19;1-3-15-5-7-17(8-6-15)22(32)20-21(16-9-11-18(12-10-16)35-25(26,27)28)31(24(34)23(20)33)19-13-4-14(2)29-30-19;1-12-2-7-16(28-27-12)29-18(13-3-5-15(6-4-13)33-22(23,24)25)17(20(31)21(29)32)19(30)14-8-10-26-11-9-14/h6-15,23,31H,5H2,1-4H3;5-15,23,30H,1-4H3;4-13,21,32H,3H2,1-2H3;4-13,21,32H,3H2,1-2H3;2-11,18,30H,1H3
• InChIKey: AGIGOFMIPIYBTD-UHFFFAOYSA-N
• XLogP: 21.82
• TPSA: 507.34 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 34
• Rotatable Bonds: 27
• Heavy Atoms: 172
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2357.29
LogP ≤ 5	21.82
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	34

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-[(4-ethoxyphenyl)-hydroxymethylidene]-1-(6-methylpyridazin-3-yl)-5-[4-(trifluoromethoxy)phenyl]pyrrolidine-2,3-dione;5-(6-ethoxy-3-pyridinyl)-4-[hydroxy-(4-propan-2-ylphenyl)methylidene]-1-(6-methylpyridazin-3-yl)pyrrolidine-2,3-dione;4-[(4-ethylphenyl)-hydroxymethylidene]-1-(6-methylpyridazin-3-yl)-5-[4-(trifluoromethoxy)phenyl]pyrrolidine-2,3-dione;4-[hydroxy-(4-methoxyphenyl)methylidene]-1-(6-methylpyridazin-3-yl)-5-(4-propan-2-yloxyphenyl)pyrrolidine-2,3-dione;4-[hydroxy(pyridin-4-yl)methylidene]-1-(6-methylpyridazin-3-yl)-5-[4-(trifluoromethoxy)phenyl]pyrrolidine-2,3-dione?

The IUPAC name of 4-[(4-ethoxyphenyl)-hydroxymethylidene]-1-(6-methylpyridazin-3-yl)-5-[4-(trifluoromethoxy)phenyl]pyrrolidine-2,3-dione;5-(6-ethoxy-3-pyridinyl)-4-[hydroxy-(4-propan-2-ylphenyl)methylidene]-1-(6-methylpyridazin-3-yl)pyrrolidine-2,3-dione;4-[(4-ethylphenyl)-hydroxymethylidene]-1-(6-methylpyridazin-3-yl)-5-[4-(trifluoromethoxy)phenyl]pyrrolidine-2,3-dione;4-[hydroxy-(4-methoxyphenyl)methylidene]-1-(6-methylpyridazin-3-yl)-5-(4-propan-2-yloxyphenyl)pyrrolidine-2,3-dione;4-[hydroxy(pyridin-4-yl)methylidene]-1-(6-methylpyridazin-3-yl)-5-[4-(trifluoromethoxy)phenyl]pyrrolidine-2,3-dione (CID 159342133) is 4-[(4-ethoxyphenyl)-hydroxymethylidene]-1-(6-methylpyridazin-3-yl)-5-[4-(trifluoromethoxy)phenyl]pyrrolidine-2,3-dione;5-(6-ethoxy-3-pyridinyl)-4-[hydroxy-(4-propan-2-ylphenyl)methylidene]-1-(6-methylpyridazin-3-yl)pyrrolidine-2,3-dione;4-[(4-ethylphenyl)-hydroxymethylidene]-1-(6-methylpyridazin-3-yl)-5-[4-(trifluoromethoxy)phenyl]pyrrolidine-2,3-dione;4-[hydroxy-(4-methoxyphenyl)methylidene]-1-(6-methylpyridazin-3-yl)-5-(4-propan-2-yloxyphenyl)pyrrolidine-2,3-dione;4-[hydroxy(pyridin-4-yl)methylidene]-1-(6-methylpyridazin-3-yl)-5-[4-(trifluoromethoxy)phenyl]pyrrolidine-2,3-dione.

What is the SMILES notation for 4-[(4-ethoxyphenyl)-hydroxymethylidene]-1-(6-methylpyridazin-3-yl)-5-[4-(trifluoromethoxy)phenyl]pyrrolidine-2,3-dione;5-(6-ethoxy-3-pyridinyl)-4-[hydroxy-(4-propan-2-ylphenyl)methylidene]-1-(6-methylpyridazin-3-yl)pyrrolidine-2,3-dione;4-[(4-ethylphenyl)-hydroxymethylidene]-1-(6-methylpyridazin-3-yl)-5-[4-(trifluoromethoxy)phenyl]pyrrolidine-2,3-dione;4-[hydroxy-(4-methoxyphenyl)methylidene]-1-(6-methylpyridazin-3-yl)-5-(4-propan-2-yloxyphenyl)pyrrolidine-2,3-dione;4-[hydroxy(pyridin-4-yl)methylidene]-1-(6-methylpyridazin-3-yl)-5-[4-(trifluoromethoxy)phenyl]pyrrolidine-2,3-dione?

The canonical SMILES for 4-[(4-ethoxyphenyl)-hydroxymethylidene]-1-(6-methylpyridazin-3-yl)-5-[4-(trifluoromethoxy)phenyl]pyrrolidine-2,3-dione;5-(6-ethoxy-3-pyridinyl)-4-[hydroxy-(4-propan-2-ylphenyl)methylidene]-1-(6-methylpyridazin-3-yl)pyrrolidine-2,3-dione;4-[(4-ethylphenyl)-hydroxymethylidene]-1-(6-methylpyridazin-3-yl)-5-[4-(trifluoromethoxy)phenyl]pyrrolidine-2,3-dione;4-[hydroxy-(4-methoxyphenyl)methylidene]-1-(6-methylpyridazin-3-yl)-5-(4-propan-2-yloxyphenyl)pyrrolidine-2,3-dione;4-[hydroxy(pyridin-4-yl)methylidene]-1-(6-methylpyridazin-3-yl)-5-[4-(trifluoromethoxy)phenyl]pyrrolidine-2,3-dione is CCOc1ccc(C(O)=C2C(=O)C(=O)N(c3ccc(C)nn3)C2c2ccc(OC(F)(F)F)cc2)cc1.CCOc1ccc(C2C(=C(O)c3ccc(C(C)C)cc3)C(=O)C(=O)N2c2ccc(C)nn2)cn1.CCc1ccc(C(O)=C2C(=O)C(=O)N(c3ccc(C)nn3)C2c2ccc(OC(F)(F)F)cc2)cc1.COc1ccc(C(O)=C2C(=O)C(=O)N(c3ccc(C)nn3)C2c2ccc(OC(C)C)cc2)cc1.Cc1ccc(N2C(=O)C(=O)C(=C(O)c3ccncc3)C2c2ccc(OC(F)(F)F)cc2)nn1.

What is the InChIKey of 4-[(4-ethoxyphenyl)-hydroxymethylidene]-1-(6-methylpyridazin-3-yl)-5-[4-(trifluoromethoxy)phenyl]pyrrolidine-2,3-dione;5-(6-ethoxy-3-pyridinyl)-4-[hydroxy-(4-propan-2-ylphenyl)methylidene]-1-(6-methylpyridazin-3-yl)pyrrolidine-2,3-dione;4-[(4-ethylphenyl)-hydroxymethylidene]-1-(6-methylpyridazin-3-yl)-5-[4-(trifluoromethoxy)phenyl]pyrrolidine-2,3-dione;4-[hydroxy-(4-methoxyphenyl)methylidene]-1-(6-methylpyridazin-3-yl)-5-(4-propan-2-yloxyphenyl)pyrrolidine-2,3-dione;4-[hydroxy(pyridin-4-yl)methylidene]-1-(6-methylpyridazin-3-yl)-5-[4-(trifluoromethoxy)phenyl]pyrrolidine-2,3-dione?

The InChIKey is AGIGOFMIPIYBTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N4O4.C26H25N3O5.C25H20F3N3O5.C25H20F3N3O4.C22H15F3N4O4/c1-5-34-21-13-11-19(14-27-21)23-22(24(31)18-9-7-17(8-10-18)15(2)3)25(32)26(33)30(23)20-12-6-16(4)28-29-20;1-15(2)34-20-12-6-17(7-13-20)23-22(24(30)18-8-10-19(33-4)11-9-18)25(31)26(32)29(23)21-14-5-16(3)27-28-21;1-3-35-17-9-7-16(8-10-17)22(32)20-21(15-5-11-18(12-6-15)36-25(26,27)28)31(24(34)23(20)33)19-13-4-14(2)29-30-19;1-3-15-5-7-17(8-6-15)22(32)20-21(16-9-11-18(12-10-16)35-25(26,27)28)31(24(34)23(20)33)19-13-4-14(2)29-30-19;1-12-2-7-16(28-27-12)29-18(13-3-5-15(6-4-13)33-22(23,24)25)17(20(31)21(29)32)19(30)14-8-10-26-11-9-14/h6-15,23,31H,5H2,1-4H3;5-15,23,30H,1-4H3;4-13,21,32H,3H2,1-2H3;4-13,21,32H,3H2,1-2H3;2-11,18,30H,1H3.

What are the key properties of 4-[(4-ethoxyphenyl)-hydroxymethylidene]-1-(6-methylpyridazin-3-yl)-5-[4-(trifluoromethoxy)phenyl]pyrrolidine-2,3-dione;5-(6-ethoxy-3-pyridinyl)-4-[hydroxy-(4-propan-2-ylphenyl)methylidene]-1-(6-methylpyridazin-3-yl)pyrrolidine-2,3-dione;4-[(4-ethylphenyl)-hydroxymethylidene]-1-(6-methylpyridazin-3-yl)-5-[4-(trifluoromethoxy)phenyl]pyrrolidine-2,3-dione;4-[hydroxy-(4-methoxyphenyl)methylidene]-1-(6-methylpyridazin-3-yl)-5-(4-propan-2-yloxyphenyl)pyrrolidine-2,3-dione;4-[hydroxy(pyridin-4-yl)methylidene]-1-(6-methylpyridazin-3-yl)-5-[4-(trifluoromethoxy)phenyl]pyrrolidine-2,3-dione?

4-[(4-ethoxyphenyl)-hydroxymethylidene]-1-(6-methylpyridazin-3-yl)-5-[4-(trifluoromethoxy)phenyl]pyrrolidine-2,3-dione;5-(6-ethoxy-3-pyridinyl)-4-[hydroxy-(4-propan-2-ylphenyl)methylidene]-1-(6-methylpyridazin-3-yl)pyrrolidine-2,3-dione;4-[(4-ethylphenyl)-hydroxymethylidene]-1-(6-methylpyridazin-3-yl)-5-[4-(trifluoromethoxy)phenyl]pyrrolidine-2,3-dione;4-[hydroxy-(4-methoxyphenyl)methylidene]-1-(6-methylpyridazin-3-yl)-5-(4-propan-2-yloxyphenyl)pyrrolidine-2,3-dione;4-[hydroxy(pyridin-4-yl)methylidene]-1-(6-methylpyridazin-3-yl)-5-[4-(trifluoromethoxy)phenyl]pyrrolidine-2,3-dione has a molecular weight of 2357.29 g/mol, XLogP of 21.82, 27 rotatable bonds, 5 hydrogen bond donors, and 34 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[(4-ethoxyphenyl)-hydroxymethylidene]-1-(6-methylpyridazin-3-yl)-5-[4-(trifluoromethoxy)phenyl]pyrrolidine-2,3-dione;5-(6-ethoxy-3-pyridinyl)-4-[hydroxy-(4-propan-2-ylphenyl)methylidene]-1-(6-methylpyridazin-3-yl)pyrrolidine-2,3-dione;4-[(4-ethylphenyl)-hydroxymethylidene]-1-(6-methylpyridazin-3-yl)-5-[4-(trifluoromethoxy)phenyl]pyrrolidine-2,3-dione;4-[hydroxy-(4-methoxyphenyl)methylidene]-1-(6-methylpyridazin-3-yl)-5-(4-propan-2-yloxyphenyl)pyrrolidine-2,3-dione;4-[hydroxy(pyridin-4-yl)methylidene]-1-(6-methylpyridazin-3-yl)-5-[4-(trifluoromethoxy)phenyl]pyrrolidine-2,3-dione is sourced from PubChem (CID 159342133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).