5-(6-ethoxy-3-pyridinyl)-4-[hydroxy-(4-propan-2-ylphenyl)methylidene]-1-(6-methylpyridazin-3-yl)pyrrolidine-2,3-dione;4-[hydroxy-[4-(trifluoromethoxy)phenyl]methylidene]-1-(6-methylpyridazin-3-yl)-5-[4-(tetrazol-1-ylmethyl)phenyl]pyrrolidine-2,3-dione;4-[hydroxy-[4-(trifluoromethoxy)phenyl]methylidene]-1-(6-methylpyridazin-3-yl)-5-[4-(1,2,4-triazol-1-ylmethyl)phenyl]pyrrolidine-2,3-dione;4-[hydroxy-[4-(trifluoromethoxy)phenyl]methylidene]-1-(6-methylpyridazin-3-yl)-5-[4-(triazol-2-ylmethyl)phenyl]pyrrolidine-2,3-dione;hydrochloride

C103H83ClF9N23O16 — CID 158258280

About 5-(6-ethoxy-3-pyridinyl)-4-[hydroxy-(4-propan-2-ylphenyl)methylidene]-1-(6-methylpyridazin-3-yl)pyrrolidine-2,3-dione;4-[hydroxy-[4-(trifluoromethoxy)phenyl]methylidene]-1-(6-methylpyridazin-3-yl)-5-[4-(tetrazol-1-ylmethyl)phenyl]pyrrolidine-2,3-dione;4-[hydroxy-[4-(trifluoromethoxy)phenyl]methylidene]-1-(6-methylpyridazin-3-yl)-5-[4-(1,2,4-triazol-1-ylmethyl)phenyl]pyrrolidine-2,3-dione;4-[hydroxy-[4-(trifluoromethoxy)phenyl]methylidene]-1-(6-methylpyridazin-3-yl)-5-[4-(triazol-2-ylmethyl)phenyl]pyrrolidine-2,3-dione;hydrochloride

5-(6-ethoxy-3-pyridinyl)-4-[hydroxy-(4-propan-2-ylphenyl)methylidene]-1-(6-methylpyridazin-3-yl)pyrrolidine-2,3-dione;4-[hydroxy-[4-(trifluoromethoxy)phenyl]methylidene]-1-(6-methylpyridazin-3-yl)-5-[4-(tetrazol-1-ylmethyl)phenyl]pyrrolidine-2,3-dione;4-[hydroxy-[4-(trifluoromethoxy)phenyl]methylidene]-1-(6-methylpyridazin-3-yl)-5-[4-(1,2,4-triazol-1-ylmethyl)phenyl]pyrrolidine-2,3-dione;4-[hydroxy-[4-(trifluoromethoxy)phenyl]methylidene]-1-(6-methylpyridazin-3-yl)-5-[4-(triazol-2-ylmethyl)phenyl]pyrrolidine-2,3-dione;hydrochloride (PubChem CID 158258280) has the molecular formula C103H83ClF9N23O16 and a molecular weight of 2105.38 g/mol. Its IUPAC name is 5-(6-ethoxy-3-pyridinyl)-4-[hydroxy-(4-propan-2-ylphenyl)methylidene]-1-(6-methylpyridazin-3-yl)pyrrolidine-2,3-dione;4-[hydroxy-[4-(trifluoromethoxy)phenyl]methylidene]-1-(6-methylpyridazin-3-yl)-5-[4-(tetrazol-1-ylmethyl)phenyl]pyrrolidine-2,3-dione;4-[hydroxy-[4-(trifluoromethoxy)phenyl]methylidene]-1-(6-methylpyridazin-3-yl)-5-[4-(1,2,4-triazol-1-ylmethyl)phenyl]pyrrolidine-2,3-dione;4-[hydroxy-[4-(trifluoromethoxy)phenyl]methylidene]-1-(6-methylpyridazin-3-yl)-5-[4-(triazol-2-ylmethyl)phenyl]pyrrolidine-2,3-dione;hydrochloride.

Molecular Properties

• Compound Name: 5-(6-ethoxy-3-pyridinyl)-4-[hydroxy-(4-propan-2-ylphenyl)methylidene]-1-(6-methylpyridazin-3-yl)pyrrolidine-2,3-dione;4-[hydroxy-[4-(trifluoromethoxy)phenyl]methylidene]-1-(6-methylpyridazin-3-yl)-5-[4-(tetrazol-1-ylmethyl)phenyl]pyrrolidine-2,3-dione;4-[hydroxy-[4-(trifluoromethoxy)phenyl]methylidene]-1-(6-methylpyridazin-3-yl)-5-[4-(1,2,4-triazol-1-ylmethyl)phenyl]pyrrolidine-2,3-dione;4-[hydroxy-[4-(trifluoromethoxy)phenyl]methylidene]-1-(6-methylpyridazin-3-yl)-5-[4-(triazol-2-ylmethyl)phenyl]pyrrolidine-2,3-dione;hydrochloride
• PubChem CID: 158258280
• Molecular Formula: C103H83ClF9N23O16
• Molecular Weight: 2105.38 g/mol
• Exact Mass: 2103.59
• IUPAC Name: 5-(6-ethoxy-3-pyridinyl)-4-[hydroxy-(4-propan-2-ylphenyl)methylidene]-1-(6-methylpyridazin-3-yl)pyrrolidine-2,3-dione;4-[hydroxy-[4-(trifluoromethoxy)phenyl]methylidene]-1-(6-methylpyridazin-3-yl)-5-[4-(tetrazol-1-ylmethyl)phenyl]pyrrolidine-2,3-dione;4-[hydroxy-[4-(trifluoromethoxy)phenyl]methylidene]-1-(6-methylpyridazin-3-yl)-5-[4-(1,2,4-triazol-1-ylmethyl)phenyl]pyrrolidine-2,3-dione;4-[hydroxy-[4-(trifluoromethoxy)phenyl]methylidene]-1-(6-methylpyridazin-3-yl)-5-[4-(triazol-2-ylmethyl)phenyl]pyrrolidine-2,3-dione;hydrochloride
• SMILES: CCOc1ccc(C2C(=C(O)c3ccc(C(C)C)cc3)C(=O)C(=O)N2c2ccc(C)nn2)cn1.Cc1ccc(N2C(=O)C(=O)C(=C(O)c3ccc(OC(F)(F)F)cc3)C2c2ccc(Cn3cncn3)cc2)nn1.Cc1ccc(N2C(=O)C(=O)C(=C(O)c3ccc(OC(F)(F)F)cc3)C2c2ccc(Cn3cnnn3)cc2)nn1.Cc1ccc(N2C(=O)C(=O)C(=C(O)c3ccc(OC(F)(F)F)cc3)C2c2ccc(Cn3nccn3)cc2)nn1.Cl
• InChI: InChI=1S/2C26H19F3N6O4.C26H26N4O4.C25H18F3N7O4.ClH/c1-15-2-11-20(33-32-15)35-22(17-5-3-16(4-6-17)12-34-14-30-13-31-34)21(24(37)25(35)38)23(36)18-7-9-19(10-8-18)39-26(27,28)29;1-15-2-11-20(33-32-15)35-22(17-5-3-16(4-6-17)14-34-30-12-13-31-34)21(24(37)25(35)38)23(36)18-7-9-19(10-8-18)39-26(27,28)29;1-5-34-21-13-11-19(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;1-14-2-11-19(31-30-14)35-21(16-5-3-15(4-6-16)12-34-13-29-32-33-34)20(23(37)24(35)38)22(36)17-7-9-18(10-8-17)39-25(26,27)28;/h2-11,13-14,22,36H,12H2,1H3;2-13,22,36H,14H2,1H3;6-15,23,31H,5H2,1-4H3;2-11,13,21,36H,12H2,1H3;1H
• InChIKey: ZAPOWHIFOOUROW-UHFFFAOYSA-N
• XLogP: 15.99
• TPSA: 488.39 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 35
• Rotatable Bonds: 24
• Heavy Atoms: 152
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2105.38
LogP ≤ 5	15.99
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	35

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-(6-ethoxy-3-pyridinyl)-4-[hydroxy-(4-propan-2-ylphenyl)methylidene]-1-(6-methylpyridazin-3-yl)pyrrolidine-2,3-dione;4-[hydroxy-[4-(trifluoromethoxy)phenyl]methylidene]-1-(6-methylpyridazin-3-yl)-5-[4-(tetrazol-1-ylmethyl)phenyl]pyrrolidine-2,3-dione;4-[hydroxy-[4-(trifluoromethoxy)phenyl]methylidene]-1-(6-methylpyridazin-3-yl)-5-[4-(1,2,4-triazol-1-ylmethyl)phenyl]pyrrolidine-2,3-dione;4-[hydroxy-[4-(trifluoromethoxy)phenyl]methylidene]-1-(6-methylpyridazin-3-yl)-5-[4-(triazol-2-ylmethyl)phenyl]pyrrolidine-2,3-dione;hydrochloride?

The IUPAC name of 5-(6-ethoxy-3-pyridinyl)-4-[hydroxy-(4-propan-2-ylphenyl)methylidene]-1-(6-methylpyridazin-3-yl)pyrrolidine-2,3-dione;4-[hydroxy-[4-(trifluoromethoxy)phenyl]methylidene]-1-(6-methylpyridazin-3-yl)-5-[4-(tetrazol-1-ylmethyl)phenyl]pyrrolidine-2,3-dione;4-[hydroxy-[4-(trifluoromethoxy)phenyl]methylidene]-1-(6-methylpyridazin-3-yl)-5-[4-(1,2,4-triazol-1-ylmethyl)phenyl]pyrrolidine-2,3-dione;4-[hydroxy-[4-(trifluoromethoxy)phenyl]methylidene]-1-(6-methylpyridazin-3-yl)-5-[4-(triazol-2-ylmethyl)phenyl]pyrrolidine-2,3-dione;hydrochloride (CID 158258280) is 5-(6-ethoxy-3-pyridinyl)-4-[hydroxy-(4-propan-2-ylphenyl)methylidene]-1-(6-methylpyridazin-3-yl)pyrrolidine-2,3-dione;4-[hydroxy-[4-(trifluoromethoxy)phenyl]methylidene]-1-(6-methylpyridazin-3-yl)-5-[4-(tetrazol-1-ylmethyl)phenyl]pyrrolidine-2,3-dione;4-[hydroxy-[4-(trifluoromethoxy)phenyl]methylidene]-1-(6-methylpyridazin-3-yl)-5-[4-(1,2,4-triazol-1-ylmethyl)phenyl]pyrrolidine-2,3-dione;4-[hydroxy-[4-(trifluoromethoxy)phenyl]methylidene]-1-(6-methylpyridazin-3-yl)-5-[4-(triazol-2-ylmethyl)phenyl]pyrrolidine-2,3-dione;hydrochloride.

What is the SMILES notation for 5-(6-ethoxy-3-pyridinyl)-4-[hydroxy-(4-propan-2-ylphenyl)methylidene]-1-(6-methylpyridazin-3-yl)pyrrolidine-2,3-dione;4-[hydroxy-[4-(trifluoromethoxy)phenyl]methylidene]-1-(6-methylpyridazin-3-yl)-5-[4-(tetrazol-1-ylmethyl)phenyl]pyrrolidine-2,3-dione;4-[hydroxy-[4-(trifluoromethoxy)phenyl]methylidene]-1-(6-methylpyridazin-3-yl)-5-[4-(1,2,4-triazol-1-ylmethyl)phenyl]pyrrolidine-2,3-dione;4-[hydroxy-[4-(trifluoromethoxy)phenyl]methylidene]-1-(6-methylpyridazin-3-yl)-5-[4-(triazol-2-ylmethyl)phenyl]pyrrolidine-2,3-dione;hydrochloride?

The canonical SMILES for 5-(6-ethoxy-3-pyridinyl)-4-[hydroxy-(4-propan-2-ylphenyl)methylidene]-1-(6-methylpyridazin-3-yl)pyrrolidine-2,3-dione;4-[hydroxy-[4-(trifluoromethoxy)phenyl]methylidene]-1-(6-methylpyridazin-3-yl)-5-[4-(tetrazol-1-ylmethyl)phenyl]pyrrolidine-2,3-dione;4-[hydroxy-[4-(trifluoromethoxy)phenyl]methylidene]-1-(6-methylpyridazin-3-yl)-5-[4-(1,2,4-triazol-1-ylmethyl)phenyl]pyrrolidine-2,3-dione;4-[hydroxy-[4-(trifluoromethoxy)phenyl]methylidene]-1-(6-methylpyridazin-3-yl)-5-[4-(triazol-2-ylmethyl)phenyl]pyrrolidine-2,3-dione;hydrochloride is CCOc1ccc(C2C(=C(O)c3ccc(C(C)C)cc3)C(=O)C(=O)N2c2ccc(C)nn2)cn1.Cc1ccc(N2C(=O)C(=O)C(=C(O)c3ccc(OC(F)(F)F)cc3)C2c2ccc(Cn3cncn3)cc2)nn1.Cc1ccc(N2C(=O)C(=O)C(=C(O)c3ccc(OC(F)(F)F)cc3)C2c2ccc(Cn3cnnn3)cc2)nn1.Cc1ccc(N2C(=O)C(=O)C(=C(O)c3ccc(OC(F)(F)F)cc3)C2c2ccc(Cn3nccn3)cc2)nn1.Cl.

What is the InChIKey of 5-(6-ethoxy-3-pyridinyl)-4-[hydroxy-(4-propan-2-ylphenyl)methylidene]-1-(6-methylpyridazin-3-yl)pyrrolidine-2,3-dione;4-[hydroxy-[4-(trifluoromethoxy)phenyl]methylidene]-1-(6-methylpyridazin-3-yl)-5-[4-(tetrazol-1-ylmethyl)phenyl]pyrrolidine-2,3-dione;4-[hydroxy-[4-(trifluoromethoxy)phenyl]methylidene]-1-(6-methylpyridazin-3-yl)-5-[4-(1,2,4-triazol-1-ylmethyl)phenyl]pyrrolidine-2,3-dione;4-[hydroxy-[4-(trifluoromethoxy)phenyl]methylidene]-1-(6-methylpyridazin-3-yl)-5-[4-(triazol-2-ylmethyl)phenyl]pyrrolidine-2,3-dione;hydrochloride?

The InChIKey is ZAPOWHIFOOUROW-UHFFFAOYSA-N. The full InChI is InChI=1S/2C26H19F3N6O4.C26H26N4O4.C25H18F3N7O4.ClH/c1-15-2-11-20(33-32-15)35-22(17-5-3-16(4-6-17)12-34-14-30-13-31-34)21(24(37)25(35)38)23(36)18-7-9-19(10-8-18)39-26(27,28)29;1-15-2-11-20(33-32-15)35-22(17-5-3-16(4-6-17)14-34-30-12-13-31-34)21(24(37)25(35)38)23(36)18-7-9-19(10-8-18)39-26(27,28)29;1-5-34-21-13-11-19(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;1-14-2-11-19(31-30-14)35-21(16-5-3-15(4-6-16)12-34-13-29-32-33-34)20(23(37)24(35)38)22(36)17-7-9-18(10-8-17)39-25(26,27)28;/h2-11,13-14,22,36H,12H2,1H3;2-13,22,36H,14H2,1H3;6-15,23,31H,5H2,1-4H3;2-11,13,21,36H,12H2,1H3;1H.

What are the key properties of 5-(6-ethoxy-3-pyridinyl)-4-[hydroxy-(4-propan-2-ylphenyl)methylidene]-1-(6-methylpyridazin-3-yl)pyrrolidine-2,3-dione;4-[hydroxy-[4-(trifluoromethoxy)phenyl]methylidene]-1-(6-methylpyridazin-3-yl)-5-[4-(tetrazol-1-ylmethyl)phenyl]pyrrolidine-2,3-dione;4-[hydroxy-[4-(trifluoromethoxy)phenyl]methylidene]-1-(6-methylpyridazin-3-yl)-5-[4-(1,2,4-triazol-1-ylmethyl)phenyl]pyrrolidine-2,3-dione;4-[hydroxy-[4-(trifluoromethoxy)phenyl]methylidene]-1-(6-methylpyridazin-3-yl)-5-[4-(triazol-2-ylmethyl)phenyl]pyrrolidine-2,3-dione;hydrochloride?

5-(6-ethoxy-3-pyridinyl)-4-[hydroxy-(4-propan-2-ylphenyl)methylidene]-1-(6-methylpyridazin-3-yl)pyrrolidine-2,3-dione;4-[hydroxy-[4-(trifluoromethoxy)phenyl]methylidene]-1-(6-methylpyridazin-3-yl)-5-[4-(tetrazol-1-ylmethyl)phenyl]pyrrolidine-2,3-dione;4-[hydroxy-[4-(trifluoromethoxy)phenyl]methylidene]-1-(6-methylpyridazin-3-yl)-5-[4-(1,2,4-triazol-1-ylmethyl)phenyl]pyrrolidine-2,3-dione;4-[hydroxy-[4-(trifluoromethoxy)phenyl]methylidene]-1-(6-methylpyridazin-3-yl)-5-[4-(triazol-2-ylmethyl)phenyl]pyrrolidine-2,3-dione;hydrochloride has a molecular weight of 2105.38 g/mol, XLogP of 15.99, 24 rotatable bonds, 4 hydrogen bond donors, and 35 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(6-ethoxy-3-pyridinyl)-4-[hydroxy-(4-propan-2-ylphenyl)methylidene]-1-(6-methylpyridazin-3-yl)pyrrolidine-2,3-dione;4-[hydroxy-[4-(trifluoromethoxy)phenyl]methylidene]-1-(6-methylpyridazin-3-yl)-5-[4-(tetrazol-1-ylmethyl)phenyl]pyrrolidine-2,3-dione;4-[hydroxy-[4-(trifluoromethoxy)phenyl]methylidene]-1-(6-methylpyridazin-3-yl)-5-[4-(1,2,4-triazol-1-ylmethyl)phenyl]pyrrolidine-2,3-dione;4-[hydroxy-[4-(trifluoromethoxy)phenyl]methylidene]-1-(6-methylpyridazin-3-yl)-5-[4-(triazol-2-ylmethyl)phenyl]pyrrolidine-2,3-dione;hydrochloride is sourced from PubChem (CID 158258280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).