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

C102H92F6N14O14 — CID 157340380

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

5-(4-ethoxyphenyl)-4-[hydroxy-(4-propan-2-ylphenyl)methylidene]-1-(6-methylpyridazin-3-yl)pyrrolidine-2,3-dione;5-(4-ethylphenyl)-4-[hydroxy-(4-propan-2-ylphenyl)methylidene]-1-(6-methylpyridazin-3-yl)pyrrolidine-2,3-dione;4-[hydroxy-(5-methyl-2-pyridinyl)methylidene]-1-(6-methylpyridazin-3-yl)-5-[4-(trifluoromethoxy)phenyl]pyrrolidine-2,3-dione;4-[hydroxy-(4-propan-2-ylphenyl)methylidene]-1-(6-methylpyridazin-3-yl)-5-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidine-2,3-dione (PubChem CID 157340380) has the molecular formula C102H92F6N14O14 and a molecular weight of 1851.93 g/mol. Its IUPAC name is 5-(4-ethoxyphenyl)-4-[hydroxy-(4-propan-2-ylphenyl)methylidene]-1-(6-methylpyridazin-3-yl)pyrrolidine-2,3-dione;5-(4-ethylphenyl)-4-[hydroxy-(4-propan-2-ylphenyl)methylidene]-1-(6-methylpyridazin-3-yl)pyrrolidine-2,3-dione;4-[hydroxy-(5-methyl-2-pyridinyl)methylidene]-1-(6-methylpyridazin-3-yl)-5-[4-(trifluoromethoxy)phenyl]pyrrolidine-2,3-dione;4-[hydroxy-(4-propan-2-ylphenyl)methylidene]-1-(6-methylpyridazin-3-yl)-5-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidine-2,3-dione.

Molecular Properties

• Compound Name: 5-(4-ethoxyphenyl)-4-[hydroxy-(4-propan-2-ylphenyl)methylidene]-1-(6-methylpyridazin-3-yl)pyrrolidine-2,3-dione;5-(4-ethylphenyl)-4-[hydroxy-(4-propan-2-ylphenyl)methylidene]-1-(6-methylpyridazin-3-yl)pyrrolidine-2,3-dione;4-[hydroxy-(5-methyl-2-pyridinyl)methylidene]-1-(6-methylpyridazin-3-yl)-5-[4-(trifluoromethoxy)phenyl]pyrrolidine-2,3-dione;4-[hydroxy-(4-propan-2-ylphenyl)methylidene]-1-(6-methylpyridazin-3-yl)-5-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidine-2,3-dione
• PubChem CID: 157340380
• Molecular Formula: C102H92F6N14O14
• Molecular Weight: 1851.93 g/mol
• Exact Mass: 1850.68
• IUPAC Name: 5-(4-ethoxyphenyl)-4-[hydroxy-(4-propan-2-ylphenyl)methylidene]-1-(6-methylpyridazin-3-yl)pyrrolidine-2,3-dione;5-(4-ethylphenyl)-4-[hydroxy-(4-propan-2-ylphenyl)methylidene]-1-(6-methylpyridazin-3-yl)pyrrolidine-2,3-dione;4-[hydroxy-(5-methyl-2-pyridinyl)methylidene]-1-(6-methylpyridazin-3-yl)-5-[4-(trifluoromethoxy)phenyl]pyrrolidine-2,3-dione;4-[hydroxy-(4-propan-2-ylphenyl)methylidene]-1-(6-methylpyridazin-3-yl)-5-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidine-2,3-dione
• SMILES: CCOc1ccc(C2C(=C(O)c3ccc(C(C)C)cc3)C(=O)C(=O)N2c2ccc(C)nn2)cc1.CCc1ccc(C2C(=C(O)c3ccc(C(C)C)cc3)C(=O)C(=O)N2c2ccc(C)nn2)cc1.Cc1ccc(C(O)=C2C(=O)C(=O)N(c3ccc(C)nn3)C2c2ccc(OC(F)(F)F)cc2)nc1.Cc1ccc(N2C(=O)C(=O)C(=C(O)c3ccc(C(C)C)cc3)C2c2ccc(C(F)(F)F)cn2)nn1
• InChI: InChI=1S/C27H27N3O4.C27H27N3O3.C25H21F3N4O3.C23H17F3N4O4/c1-5-34-21-13-11-19(12-14-21)24-23(25(31)20-9-7-18(8-10-20)16(2)3)26(32)27(33)30(24)22-15-6-17(4)28-29-22;1-5-18-7-9-20(10-8-18)24-23(25(31)21-13-11-19(12-14-21)16(2)3)26(32)27(33)30(24)22-15-6-17(4)28-29-22;1-13(2)15-5-7-16(8-6-15)22(33)20-21(18-10-9-17(12-29-18)25(26,27)28)32(24(35)23(20)34)19-11-4-14(3)30-31-19;1-12-3-9-16(27-11-12)20(31)18-19(14-5-7-15(8-6-14)34-23(24,25)26)30(22(33)21(18)32)17-10-4-13(2)28-29-17/h6-16,24,31H,5H2,1-4H3;6-16,24,31H,5H2,1-4H3;4-13,21,33H,1-3H3;3-11,19,31H,1-2H3
• InChIKey: DDTZVIQPGXPIKZ-UHFFFAOYSA-N
• XLogP: 18.99
• TPSA: 377.80 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 24
• Rotatable Bonds: 19
• Heavy Atoms: 136
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1851.93
LogP ≤ 5	18.99
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	24

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

The IUPAC name of 5-(4-ethoxyphenyl)-4-[hydroxy-(4-propan-2-ylphenyl)methylidene]-1-(6-methylpyridazin-3-yl)pyrrolidine-2,3-dione;5-(4-ethylphenyl)-4-[hydroxy-(4-propan-2-ylphenyl)methylidene]-1-(6-methylpyridazin-3-yl)pyrrolidine-2,3-dione;4-[hydroxy-(5-methyl-2-pyridinyl)methylidene]-1-(6-methylpyridazin-3-yl)-5-[4-(trifluoromethoxy)phenyl]pyrrolidine-2,3-dione;4-[hydroxy-(4-propan-2-ylphenyl)methylidene]-1-(6-methylpyridazin-3-yl)-5-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidine-2,3-dione (CID 157340380) is 5-(4-ethoxyphenyl)-4-[hydroxy-(4-propan-2-ylphenyl)methylidene]-1-(6-methylpyridazin-3-yl)pyrrolidine-2,3-dione;5-(4-ethylphenyl)-4-[hydroxy-(4-propan-2-ylphenyl)methylidene]-1-(6-methylpyridazin-3-yl)pyrrolidine-2,3-dione;4-[hydroxy-(5-methyl-2-pyridinyl)methylidene]-1-(6-methylpyridazin-3-yl)-5-[4-(trifluoromethoxy)phenyl]pyrrolidine-2,3-dione;4-[hydroxy-(4-propan-2-ylphenyl)methylidene]-1-(6-methylpyridazin-3-yl)-5-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidine-2,3-dione.

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

The canonical SMILES for 5-(4-ethoxyphenyl)-4-[hydroxy-(4-propan-2-ylphenyl)methylidene]-1-(6-methylpyridazin-3-yl)pyrrolidine-2,3-dione;5-(4-ethylphenyl)-4-[hydroxy-(4-propan-2-ylphenyl)methylidene]-1-(6-methylpyridazin-3-yl)pyrrolidine-2,3-dione;4-[hydroxy-(5-methyl-2-pyridinyl)methylidene]-1-(6-methylpyridazin-3-yl)-5-[4-(trifluoromethoxy)phenyl]pyrrolidine-2,3-dione;4-[hydroxy-(4-propan-2-ylphenyl)methylidene]-1-(6-methylpyridazin-3-yl)-5-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidine-2,3-dione is CCOc1ccc(C2C(=C(O)c3ccc(C(C)C)cc3)C(=O)C(=O)N2c2ccc(C)nn2)cc1.CCc1ccc(C2C(=C(O)c3ccc(C(C)C)cc3)C(=O)C(=O)N2c2ccc(C)nn2)cc1.Cc1ccc(C(O)=C2C(=O)C(=O)N(c3ccc(C)nn3)C2c2ccc(OC(F)(F)F)cc2)nc1.Cc1ccc(N2C(=O)C(=O)C(=C(O)c3ccc(C(C)C)cc3)C2c2ccc(C(F)(F)F)cn2)nn1.

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

The InChIKey is DDTZVIQPGXPIKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27N3O4.C27H27N3O3.C25H21F3N4O3.C23H17F3N4O4/c1-5-34-21-13-11-19(12-14-21)24-23(25(31)20-9-7-18(8-10-20)16(2)3)26(32)27(33)30(24)22-15-6-17(4)28-29-22;1-5-18-7-9-20(10-8-18)24-23(25(31)21-13-11-19(12-14-21)16(2)3)26(32)27(33)30(24)22-15-6-17(4)28-29-22;1-13(2)15-5-7-16(8-6-15)22(33)20-21(18-10-9-17(12-29-18)25(26,27)28)32(24(35)23(20)34)19-11-4-14(3)30-31-19;1-12-3-9-16(27-11-12)20(31)18-19(14-5-7-15(8-6-14)34-23(24,25)26)30(22(33)21(18)32)17-10-4-13(2)28-29-17/h6-16,24,31H,5H2,1-4H3;6-16,24,31H,5H2,1-4H3;4-13,21,33H,1-3H3;3-11,19,31H,1-2H3.

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

5-(4-ethoxyphenyl)-4-[hydroxy-(4-propan-2-ylphenyl)methylidene]-1-(6-methylpyridazin-3-yl)pyrrolidine-2,3-dione;5-(4-ethylphenyl)-4-[hydroxy-(4-propan-2-ylphenyl)methylidene]-1-(6-methylpyridazin-3-yl)pyrrolidine-2,3-dione;4-[hydroxy-(5-methyl-2-pyridinyl)methylidene]-1-(6-methylpyridazin-3-yl)-5-[4-(trifluoromethoxy)phenyl]pyrrolidine-2,3-dione;4-[hydroxy-(4-propan-2-ylphenyl)methylidene]-1-(6-methylpyridazin-3-yl)-5-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidine-2,3-dione has a molecular weight of 1851.93 g/mol, XLogP of 18.99, 19 rotatable bonds, 4 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(4-ethoxyphenyl)-4-[hydroxy-(4-propan-2-ylphenyl)methylidene]-1-(6-methylpyridazin-3-yl)pyrrolidine-2,3-dione;5-(4-ethylphenyl)-4-[hydroxy-(4-propan-2-ylphenyl)methylidene]-1-(6-methylpyridazin-3-yl)pyrrolidine-2,3-dione;4-[hydroxy-(5-methyl-2-pyridinyl)methylidene]-1-(6-methylpyridazin-3-yl)-5-[4-(trifluoromethoxy)phenyl]pyrrolidine-2,3-dione;4-[hydroxy-(4-propan-2-ylphenyl)methylidene]-1-(6-methylpyridazin-3-yl)-5-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidine-2,3-dione is sourced from PubChem (CID 157340380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).