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;5-(5-ethoxy-2-pyridinyl)-4-[hydroxy-(4-propan-2-ylphenyl)methylidene]-1-(6-methylpyridazin-3-yl)pyrrolidine-2,3-dione;4-[hydroxy-(4-propan-2-ylphenyl)methylidene]-1-(6-methylpyridazin-3-yl)-5-(5-propan-2-yloxy-2-pyridinyl)pyrrolidine-2,3-dione

C107H103F3N14O16 — CID 158440727

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;5-(5-ethoxy-2-pyridinyl)-4-[hydroxy-(4-propan-2-ylphenyl)methylidene]-1-(6-methylpyridazin-3-yl)pyrrolidine-2,3-dione;4-[hydroxy-(4-propan-2-ylphenyl)methylidene]-1-(6-methylpyridazin-3-yl)-5-(5-propan-2-yloxy-2-pyridinyl)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;5-(5-ethoxy-2-pyridinyl)-4-[hydroxy-(4-propan-2-ylphenyl)methylidene]-1-(6-methylpyridazin-3-yl)pyrrolidine-2,3-dione;4-[hydroxy-(4-propan-2-ylphenyl)methylidene]-1-(6-methylpyridazin-3-yl)-5-(5-propan-2-yloxy-2-pyridinyl)pyrrolidine-2,3-dione (PubChem CID 158440727) has the molecular formula C107H103F3N14O16 and a molecular weight of 1898.08 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;5-(5-ethoxy-2-pyridinyl)-4-[hydroxy-(4-propan-2-ylphenyl)methylidene]-1-(6-methylpyridazin-3-yl)pyrrolidine-2,3-dione;4-[hydroxy-(4-propan-2-ylphenyl)methylidene]-1-(6-methylpyridazin-3-yl)-5-(5-propan-2-yloxy-2-pyridinyl)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;5-(5-ethoxy-2-pyridinyl)-4-[hydroxy-(4-propan-2-ylphenyl)methylidene]-1-(6-methylpyridazin-3-yl)pyrrolidine-2,3-dione;4-[hydroxy-(4-propan-2-ylphenyl)methylidene]-1-(6-methylpyridazin-3-yl)-5-(5-propan-2-yloxy-2-pyridinyl)pyrrolidine-2,3-dione
• PubChem CID: 158440727
• Molecular Formula: C107H103F3N14O16
• Molecular Weight: 1898.08 g/mol
• Exact Mass: 1896.76
• 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;5-(5-ethoxy-2-pyridinyl)-4-[hydroxy-(4-propan-2-ylphenyl)methylidene]-1-(6-methylpyridazin-3-yl)pyrrolidine-2,3-dione;4-[hydroxy-(4-propan-2-ylphenyl)methylidene]-1-(6-methylpyridazin-3-yl)-5-(5-propan-2-yloxy-2-pyridinyl)pyrrolidine-2,3-dione
• SMILES: CC(=O)c1ccc(C2C(=C(O)c3ccc(C(C)C)cc3)C(=O)C(=O)N2c2ccc(C)nn2)cc1.CCOc1ccc(C2C(=C(O)c3ccc(C(C)C)cc3)C(=O)C(=O)N2c2ccc(C)nn2)nc1.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)C2c2ccc(OC(C)C)cn2)nn1
• InChI: InChI=1S/C27H24F3N3O4.C27H28N4O4.C27H25N3O4.C26H26N4O4/c1-15-5-14-20(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)18-7-9-19(10-8-18)25(32)23-24(21-12-11-20(14-28-21)35-16(3)4)31(27(34)26(23)33)22-13-6-17(5)29-30-22;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;1-5-34-19-11-12-20(27-14-19)23-22(24(31)18-9-7-17(8-10-18)15(2)3)25(32)26(33)30(23)21-13-6-16(4)28-29-21/h5-14,22,34H,1-4H3;6-16,24,32H,1-5H3;5-15,24,32H,1-4H3;6-15,23,31H,5H2,1-4H3
• InChIKey: SQUOWEIVZKREGZ-UHFFFAOYSA-N
• XLogP: 19.39
• TPSA: 404.10 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 26
• Rotatable Bonds: 21
• Heavy Atoms: 140
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1898.08
LogP ≤ 5	19.39
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 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;5-(5-ethoxy-2-pyridinyl)-4-[hydroxy-(4-propan-2-ylphenyl)methylidene]-1-(6-methylpyridazin-3-yl)pyrrolidine-2,3-dione;4-[hydroxy-(4-propan-2-ylphenyl)methylidene]-1-(6-methylpyridazin-3-yl)-5-(5-propan-2-yloxy-2-pyridinyl)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;5-(5-ethoxy-2-pyridinyl)-4-[hydroxy-(4-propan-2-ylphenyl)methylidene]-1-(6-methylpyridazin-3-yl)pyrrolidine-2,3-dione;4-[hydroxy-(4-propan-2-ylphenyl)methylidene]-1-(6-methylpyridazin-3-yl)-5-(5-propan-2-yloxy-2-pyridinyl)pyrrolidine-2,3-dione (CID 158440727) 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;5-(5-ethoxy-2-pyridinyl)-4-[hydroxy-(4-propan-2-ylphenyl)methylidene]-1-(6-methylpyridazin-3-yl)pyrrolidine-2,3-dione;4-[hydroxy-(4-propan-2-ylphenyl)methylidene]-1-(6-methylpyridazin-3-yl)-5-(5-propan-2-yloxy-2-pyridinyl)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;5-(5-ethoxy-2-pyridinyl)-4-[hydroxy-(4-propan-2-ylphenyl)methylidene]-1-(6-methylpyridazin-3-yl)pyrrolidine-2,3-dione;4-[hydroxy-(4-propan-2-ylphenyl)methylidene]-1-(6-methylpyridazin-3-yl)-5-(5-propan-2-yloxy-2-pyridinyl)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;5-(5-ethoxy-2-pyridinyl)-4-[hydroxy-(4-propan-2-ylphenyl)methylidene]-1-(6-methylpyridazin-3-yl)pyrrolidine-2,3-dione;4-[hydroxy-(4-propan-2-ylphenyl)methylidene]-1-(6-methylpyridazin-3-yl)-5-(5-propan-2-yloxy-2-pyridinyl)pyrrolidine-2,3-dione is CC(=O)c1ccc(C2C(=C(O)c3ccc(C(C)C)cc3)C(=O)C(=O)N2c2ccc(C)nn2)cc1.CCOc1ccc(C2C(=C(O)c3ccc(C(C)C)cc3)C(=O)C(=O)N2c2ccc(C)nn2)nc1.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)C2c2ccc(OC(C)C)cn2)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;5-(5-ethoxy-2-pyridinyl)-4-[hydroxy-(4-propan-2-ylphenyl)methylidene]-1-(6-methylpyridazin-3-yl)pyrrolidine-2,3-dione;4-[hydroxy-(4-propan-2-ylphenyl)methylidene]-1-(6-methylpyridazin-3-yl)-5-(5-propan-2-yloxy-2-pyridinyl)pyrrolidine-2,3-dione?

The InChIKey is SQUOWEIVZKREGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24F3N3O4.C27H28N4O4.C27H25N3O4.C26H26N4O4/c1-15-5-14-20(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)18-7-9-19(10-8-18)25(32)23-24(21-12-11-20(14-28-21)35-16(3)4)31(27(34)26(23)33)22-13-6-17(5)29-30-22;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;1-5-34-19-11-12-20(27-14-19)23-22(24(31)18-9-7-17(8-10-18)15(2)3)25(32)26(33)30(23)21-13-6-16(4)28-29-21/h5-14,22,34H,1-4H3;6-16,24,32H,1-5H3;5-15,24,32H,1-4H3;6-15,23,31H,5H2,1-4H3.

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;5-(5-ethoxy-2-pyridinyl)-4-[hydroxy-(4-propan-2-ylphenyl)methylidene]-1-(6-methylpyridazin-3-yl)pyrrolidine-2,3-dione;4-[hydroxy-(4-propan-2-ylphenyl)methylidene]-1-(6-methylpyridazin-3-yl)-5-(5-propan-2-yloxy-2-pyridinyl)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;5-(5-ethoxy-2-pyridinyl)-4-[hydroxy-(4-propan-2-ylphenyl)methylidene]-1-(6-methylpyridazin-3-yl)pyrrolidine-2,3-dione;4-[hydroxy-(4-propan-2-ylphenyl)methylidene]-1-(6-methylpyridazin-3-yl)-5-(5-propan-2-yloxy-2-pyridinyl)pyrrolidine-2,3-dione has a molecular weight of 1898.08 g/mol, XLogP of 19.39, 21 rotatable bonds, 4 hydrogen bond donors, and 26 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;5-(5-ethoxy-2-pyridinyl)-4-[hydroxy-(4-propan-2-ylphenyl)methylidene]-1-(6-methylpyridazin-3-yl)pyrrolidine-2,3-dione;4-[hydroxy-(4-propan-2-ylphenyl)methylidene]-1-(6-methylpyridazin-3-yl)-5-(5-propan-2-yloxy-2-pyridinyl)pyrrolidine-2,3-dione is sourced from PubChem (CID 158440727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).