5-[4-[2-(dimethylamino)ethoxy]phenyl]-4-[hydroxy-(4-methylphenyl)methylidene]-1-(6-methylpyridazin-3-yl)pyrrolidine-2,3-dione;5-(2,4-dimethylphenyl)-4-[hydroxy-(4-methylphenyl)methylidene]-1-(6-methylpyridazin-3-yl)pyrrolidine-2,3-dione;4-[hydroxy-(4-propan-2-ylphenyl)methylidene]-1-(6-methylpyridazin-3-yl)-5-(4-morpholin-4-ylphenyl)pyrrolidine-2,3-dione;4-[hydroxy-(4-propan-2-ylphenyl)methylidene]-1-(6-methylpyridazin-3-yl)-5-[4-(trifluoromethoxy)phenyl]pyrrolidine-2,3-dione;[1-(6-methylpyridazin-3-yl)-5-oxo-3-(4-propan-2-ylbenzoyl)-2-(4-propan-2-ylphenyl)-2H-pyrrol-4-yl] acetate

C137H134F3N17O19 — CID 159529189

About 5-[4-[2-(dimethylamino)ethoxy]phenyl]-4-[hydroxy-(4-methylphenyl)methylidene]-1-(6-methylpyridazin-3-yl)pyrrolidine-2,3-dione;5-(2,4-dimethylphenyl)-4-[hydroxy-(4-methylphenyl)methylidene]-1-(6-methylpyridazin-3-yl)pyrrolidine-2,3-dione;4-[hydroxy-(4-propan-2-ylphenyl)methylidene]-1-(6-methylpyridazin-3-yl)-5-(4-morpholin-4-ylphenyl)pyrrolidine-2,3-dione;4-[hydroxy-(4-propan-2-ylphenyl)methylidene]-1-(6-methylpyridazin-3-yl)-5-[4-(trifluoromethoxy)phenyl]pyrrolidine-2,3-dione;[1-(6-methylpyridazin-3-yl)-5-oxo-3-(4-propan-2-ylbenzoyl)-2-(4-propan-2-ylphenyl)-2H-pyrrol-4-yl] acetate

5-[4-[2-(dimethylamino)ethoxy]phenyl]-4-[hydroxy-(4-methylphenyl)methylidene]-1-(6-methylpyridazin-3-yl)pyrrolidine-2,3-dione;5-(2,4-dimethylphenyl)-4-[hydroxy-(4-methylphenyl)methylidene]-1-(6-methylpyridazin-3-yl)pyrrolidine-2,3-dione;4-[hydroxy-(4-propan-2-ylphenyl)methylidene]-1-(6-methylpyridazin-3-yl)-5-(4-morpholin-4-ylphenyl)pyrrolidine-2,3-dione;4-[hydroxy-(4-propan-2-ylphenyl)methylidene]-1-(6-methylpyridazin-3-yl)-5-[4-(trifluoromethoxy)phenyl]pyrrolidine-2,3-dione;[1-(6-methylpyridazin-3-yl)-5-oxo-3-(4-propan-2-ylbenzoyl)-2-(4-propan-2-ylphenyl)-2H-pyrrol-4-yl] acetate (PubChem CID 159529189) has the molecular formula C137H134F3N17O19 and a molecular weight of 2379.67 g/mol. Its IUPAC name is 5-[4-[2-(dimethylamino)ethoxy]phenyl]-4-[hydroxy-(4-methylphenyl)methylidene]-1-(6-methylpyridazin-3-yl)pyrrolidine-2,3-dione;5-(2,4-dimethylphenyl)-4-[hydroxy-(4-methylphenyl)methylidene]-1-(6-methylpyridazin-3-yl)pyrrolidine-2,3-dione;4-[hydroxy-(4-propan-2-ylphenyl)methylidene]-1-(6-methylpyridazin-3-yl)-5-(4-morpholin-4-ylphenyl)pyrrolidine-2,3-dione;4-[hydroxy-(4-propan-2-ylphenyl)methylidene]-1-(6-methylpyridazin-3-yl)-5-[4-(trifluoromethoxy)phenyl]pyrrolidine-2,3-dione;[1-(6-methylpyridazin-3-yl)-5-oxo-3-(4-propan-2-ylbenzoyl)-2-(4-propan-2-ylphenyl)-2H-pyrrol-4-yl] acetate.

Molecular Properties

• Compound Name: 5-[4-[2-(dimethylamino)ethoxy]phenyl]-4-[hydroxy-(4-methylphenyl)methylidene]-1-(6-methylpyridazin-3-yl)pyrrolidine-2,3-dione;5-(2,4-dimethylphenyl)-4-[hydroxy-(4-methylphenyl)methylidene]-1-(6-methylpyridazin-3-yl)pyrrolidine-2,3-dione;4-[hydroxy-(4-propan-2-ylphenyl)methylidene]-1-(6-methylpyridazin-3-yl)-5-(4-morpholin-4-ylphenyl)pyrrolidine-2,3-dione;4-[hydroxy-(4-propan-2-ylphenyl)methylidene]-1-(6-methylpyridazin-3-yl)-5-[4-(trifluoromethoxy)phenyl]pyrrolidine-2,3-dione;[1-(6-methylpyridazin-3-yl)-5-oxo-3-(4-propan-2-ylbenzoyl)-2-(4-propan-2-ylphenyl)-2H-pyrrol-4-yl] acetate
• PubChem CID: 159529189
• Molecular Formula: C137H134F3N17O19
• Molecular Weight: 2379.67 g/mol
• Exact Mass: 2378.00
• IUPAC Name: 5-[4-[2-(dimethylamino)ethoxy]phenyl]-4-[hydroxy-(4-methylphenyl)methylidene]-1-(6-methylpyridazin-3-yl)pyrrolidine-2,3-dione;5-(2,4-dimethylphenyl)-4-[hydroxy-(4-methylphenyl)methylidene]-1-(6-methylpyridazin-3-yl)pyrrolidine-2,3-dione;4-[hydroxy-(4-propan-2-ylphenyl)methylidene]-1-(6-methylpyridazin-3-yl)-5-(4-morpholin-4-ylphenyl)pyrrolidine-2,3-dione;4-[hydroxy-(4-propan-2-ylphenyl)methylidene]-1-(6-methylpyridazin-3-yl)-5-[4-(trifluoromethoxy)phenyl]pyrrolidine-2,3-dione;[1-(6-methylpyridazin-3-yl)-5-oxo-3-(4-propan-2-ylbenzoyl)-2-(4-propan-2-ylphenyl)-2H-pyrrol-4-yl] acetate
• SMILES: CC(=O)OC1=C(C(=O)c2ccc(C(C)C)cc2)C(c2ccc(C(C)C)cc2)N(c2ccc(C)nn2)C1=O.Cc1ccc(C(O)=C2C(=O)C(=O)N(c3ccc(C)nn3)C2c2ccc(C)cc2C)cc1.Cc1ccc(C(O)=C2C(=O)C(=O)N(c3ccc(C)nn3)C2c2ccc(OCCN(C)C)cc2)cc1.Cc1ccc(N2C(=O)C(=O)C(=C(O)c3ccc(C(C)C)cc3)C2c2ccc(N3CCOCC3)cc2)nn1.Cc1ccc(N2C(=O)C(=O)C(=C(O)c3ccc(C(C)C)cc3)C2c2ccc(OC(F)(F)F)cc2)nn1
• InChI: InChI=1S/C30H31N3O4.C29H30N4O4.C27H28N4O4.C26H22F3N3O4.C25H23N3O3/c1-17(2)21-8-12-23(13-9-21)27-26(28(35)24-14-10-22(11-15-24)18(3)4)29(37-20(6)34)30(36)33(27)25-16-7-19(5)31-32-25;1-18(2)20-5-7-22(8-6-20)27(34)25-26(21-9-11-23(12-10-21)32-14-16-37-17-15-32)33(29(36)28(25)35)24-13-4-19(3)30-31-24;1-17-5-8-20(9-6-17)25(32)23-24(19-10-12-21(13-11-19)35-16-15-30(3)4)31(27(34)26(23)33)22-14-7-18(2)28-29-22;1-14(2)16-5-7-18(8-6-16)23(33)21-22(17-9-11-19(12-10-17)36-26(27,28)29)32(25(35)24(21)34)20-13-4-15(3)30-31-20;1-14-5-9-18(10-6-14)23(29)21-22(19-11-7-15(2)13-16(19)3)28(25(31)24(21)30)20-12-8-17(4)26-27-20/h7-18,27H,1-6H3;4-13,18,26,34H,14-17H2,1-3H3;5-14,24,32H,15-16H2,1-4H3;4-14,22,33H,1-3H3;5-13,22,29H,1-4H3
• InChIKey: PQZBYXNPIJFBCO-UHFFFAOYSA-N
• XLogP: 23.62
• TPSA: 457.19 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 31
• Rotatable Bonds: 27
• Heavy Atoms: 176
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2379.67
LogP ≤ 5	23.62
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	31

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-[2-(dimethylamino)ethoxy]phenyl]-4-[hydroxy-(4-methylphenyl)methylidene]-1-(6-methylpyridazin-3-yl)pyrrolidine-2,3-dione;5-(2,4-dimethylphenyl)-4-[hydroxy-(4-methylphenyl)methylidene]-1-(6-methylpyridazin-3-yl)pyrrolidine-2,3-dione;4-[hydroxy-(4-propan-2-ylphenyl)methylidene]-1-(6-methylpyridazin-3-yl)-5-(4-morpholin-4-ylphenyl)pyrrolidine-2,3-dione;4-[hydroxy-(4-propan-2-ylphenyl)methylidene]-1-(6-methylpyridazin-3-yl)-5-[4-(trifluoromethoxy)phenyl]pyrrolidine-2,3-dione;[1-(6-methylpyridazin-3-yl)-5-oxo-3-(4-propan-2-ylbenzoyl)-2-(4-propan-2-ylphenyl)-2H-pyrrol-4-yl] acetate?

The IUPAC name of 5-[4-[2-(dimethylamino)ethoxy]phenyl]-4-[hydroxy-(4-methylphenyl)methylidene]-1-(6-methylpyridazin-3-yl)pyrrolidine-2,3-dione;5-(2,4-dimethylphenyl)-4-[hydroxy-(4-methylphenyl)methylidene]-1-(6-methylpyridazin-3-yl)pyrrolidine-2,3-dione;4-[hydroxy-(4-propan-2-ylphenyl)methylidene]-1-(6-methylpyridazin-3-yl)-5-(4-morpholin-4-ylphenyl)pyrrolidine-2,3-dione;4-[hydroxy-(4-propan-2-ylphenyl)methylidene]-1-(6-methylpyridazin-3-yl)-5-[4-(trifluoromethoxy)phenyl]pyrrolidine-2,3-dione;[1-(6-methylpyridazin-3-yl)-5-oxo-3-(4-propan-2-ylbenzoyl)-2-(4-propan-2-ylphenyl)-2H-pyrrol-4-yl] acetate (CID 159529189) is 5-[4-[2-(dimethylamino)ethoxy]phenyl]-4-[hydroxy-(4-methylphenyl)methylidene]-1-(6-methylpyridazin-3-yl)pyrrolidine-2,3-dione;5-(2,4-dimethylphenyl)-4-[hydroxy-(4-methylphenyl)methylidene]-1-(6-methylpyridazin-3-yl)pyrrolidine-2,3-dione;4-[hydroxy-(4-propan-2-ylphenyl)methylidene]-1-(6-methylpyridazin-3-yl)-5-(4-morpholin-4-ylphenyl)pyrrolidine-2,3-dione;4-[hydroxy-(4-propan-2-ylphenyl)methylidene]-1-(6-methylpyridazin-3-yl)-5-[4-(trifluoromethoxy)phenyl]pyrrolidine-2,3-dione;[1-(6-methylpyridazin-3-yl)-5-oxo-3-(4-propan-2-ylbenzoyl)-2-(4-propan-2-ylphenyl)-2H-pyrrol-4-yl] acetate.

What is the SMILES notation for 5-[4-[2-(dimethylamino)ethoxy]phenyl]-4-[hydroxy-(4-methylphenyl)methylidene]-1-(6-methylpyridazin-3-yl)pyrrolidine-2,3-dione;5-(2,4-dimethylphenyl)-4-[hydroxy-(4-methylphenyl)methylidene]-1-(6-methylpyridazin-3-yl)pyrrolidine-2,3-dione;4-[hydroxy-(4-propan-2-ylphenyl)methylidene]-1-(6-methylpyridazin-3-yl)-5-(4-morpholin-4-ylphenyl)pyrrolidine-2,3-dione;4-[hydroxy-(4-propan-2-ylphenyl)methylidene]-1-(6-methylpyridazin-3-yl)-5-[4-(trifluoromethoxy)phenyl]pyrrolidine-2,3-dione;[1-(6-methylpyridazin-3-yl)-5-oxo-3-(4-propan-2-ylbenzoyl)-2-(4-propan-2-ylphenyl)-2H-pyrrol-4-yl] acetate?

The canonical SMILES for 5-[4-[2-(dimethylamino)ethoxy]phenyl]-4-[hydroxy-(4-methylphenyl)methylidene]-1-(6-methylpyridazin-3-yl)pyrrolidine-2,3-dione;5-(2,4-dimethylphenyl)-4-[hydroxy-(4-methylphenyl)methylidene]-1-(6-methylpyridazin-3-yl)pyrrolidine-2,3-dione;4-[hydroxy-(4-propan-2-ylphenyl)methylidene]-1-(6-methylpyridazin-3-yl)-5-(4-morpholin-4-ylphenyl)pyrrolidine-2,3-dione;4-[hydroxy-(4-propan-2-ylphenyl)methylidene]-1-(6-methylpyridazin-3-yl)-5-[4-(trifluoromethoxy)phenyl]pyrrolidine-2,3-dione;[1-(6-methylpyridazin-3-yl)-5-oxo-3-(4-propan-2-ylbenzoyl)-2-(4-propan-2-ylphenyl)-2H-pyrrol-4-yl] acetate is CC(=O)OC1=C(C(=O)c2ccc(C(C)C)cc2)C(c2ccc(C(C)C)cc2)N(c2ccc(C)nn2)C1=O.Cc1ccc(C(O)=C2C(=O)C(=O)N(c3ccc(C)nn3)C2c2ccc(C)cc2C)cc1.Cc1ccc(C(O)=C2C(=O)C(=O)N(c3ccc(C)nn3)C2c2ccc(OCCN(C)C)cc2)cc1.Cc1ccc(N2C(=O)C(=O)C(=C(O)c3ccc(C(C)C)cc3)C2c2ccc(N3CCOCC3)cc2)nn1.Cc1ccc(N2C(=O)C(=O)C(=C(O)c3ccc(C(C)C)cc3)C2c2ccc(OC(F)(F)F)cc2)nn1.

What is the InChIKey of 5-[4-[2-(dimethylamino)ethoxy]phenyl]-4-[hydroxy-(4-methylphenyl)methylidene]-1-(6-methylpyridazin-3-yl)pyrrolidine-2,3-dione;5-(2,4-dimethylphenyl)-4-[hydroxy-(4-methylphenyl)methylidene]-1-(6-methylpyridazin-3-yl)pyrrolidine-2,3-dione;4-[hydroxy-(4-propan-2-ylphenyl)methylidene]-1-(6-methylpyridazin-3-yl)-5-(4-morpholin-4-ylphenyl)pyrrolidine-2,3-dione;4-[hydroxy-(4-propan-2-ylphenyl)methylidene]-1-(6-methylpyridazin-3-yl)-5-[4-(trifluoromethoxy)phenyl]pyrrolidine-2,3-dione;[1-(6-methylpyridazin-3-yl)-5-oxo-3-(4-propan-2-ylbenzoyl)-2-(4-propan-2-ylphenyl)-2H-pyrrol-4-yl] acetate?

The InChIKey is PQZBYXNPIJFBCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H31N3O4.C29H30N4O4.C27H28N4O4.C26H22F3N3O4.C25H23N3O3/c1-17(2)21-8-12-23(13-9-21)27-26(28(35)24-14-10-22(11-15-24)18(3)4)29(37-20(6)34)30(36)33(27)25-16-7-19(5)31-32-25;1-18(2)20-5-7-22(8-6-20)27(34)25-26(21-9-11-23(12-10-21)32-14-16-37-17-15-32)33(29(36)28(25)35)24-13-4-19(3)30-31-24;1-17-5-8-20(9-6-17)25(32)23-24(19-10-12-21(13-11-19)35-16-15-30(3)4)31(27(34)26(23)33)22-14-7-18(2)28-29-22;1-14(2)16-5-7-18(8-6-16)23(33)21-22(17-9-11-19(12-10-17)36-26(27,28)29)32(25(35)24(21)34)20-13-4-15(3)30-31-20;1-14-5-9-18(10-6-14)23(29)21-22(19-11-7-15(2)13-16(19)3)28(25(31)24(21)30)20-12-8-17(4)26-27-20/h7-18,27H,1-6H3;4-13,18,26,34H,14-17H2,1-3H3;5-14,24,32H,15-16H2,1-4H3;4-14,22,33H,1-3H3;5-13,22,29H,1-4H3.

What are the key properties of 5-[4-[2-(dimethylamino)ethoxy]phenyl]-4-[hydroxy-(4-methylphenyl)methylidene]-1-(6-methylpyridazin-3-yl)pyrrolidine-2,3-dione;5-(2,4-dimethylphenyl)-4-[hydroxy-(4-methylphenyl)methylidene]-1-(6-methylpyridazin-3-yl)pyrrolidine-2,3-dione;4-[hydroxy-(4-propan-2-ylphenyl)methylidene]-1-(6-methylpyridazin-3-yl)-5-(4-morpholin-4-ylphenyl)pyrrolidine-2,3-dione;4-[hydroxy-(4-propan-2-ylphenyl)methylidene]-1-(6-methylpyridazin-3-yl)-5-[4-(trifluoromethoxy)phenyl]pyrrolidine-2,3-dione;[1-(6-methylpyridazin-3-yl)-5-oxo-3-(4-propan-2-ylbenzoyl)-2-(4-propan-2-ylphenyl)-2H-pyrrol-4-yl] acetate?

5-[4-[2-(dimethylamino)ethoxy]phenyl]-4-[hydroxy-(4-methylphenyl)methylidene]-1-(6-methylpyridazin-3-yl)pyrrolidine-2,3-dione;5-(2,4-dimethylphenyl)-4-[hydroxy-(4-methylphenyl)methylidene]-1-(6-methylpyridazin-3-yl)pyrrolidine-2,3-dione;4-[hydroxy-(4-propan-2-ylphenyl)methylidene]-1-(6-methylpyridazin-3-yl)-5-(4-morpholin-4-ylphenyl)pyrrolidine-2,3-dione;4-[hydroxy-(4-propan-2-ylphenyl)methylidene]-1-(6-methylpyridazin-3-yl)-5-[4-(trifluoromethoxy)phenyl]pyrrolidine-2,3-dione;[1-(6-methylpyridazin-3-yl)-5-oxo-3-(4-propan-2-ylbenzoyl)-2-(4-propan-2-ylphenyl)-2H-pyrrol-4-yl] acetate has a molecular weight of 2379.67 g/mol, XLogP of 23.62, 27 rotatable bonds, 4 hydrogen bond donors, and 31 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[4-[2-(dimethylamino)ethoxy]phenyl]-4-[hydroxy-(4-methylphenyl)methylidene]-1-(6-methylpyridazin-3-yl)pyrrolidine-2,3-dione;5-(2,4-dimethylphenyl)-4-[hydroxy-(4-methylphenyl)methylidene]-1-(6-methylpyridazin-3-yl)pyrrolidine-2,3-dione;4-[hydroxy-(4-propan-2-ylphenyl)methylidene]-1-(6-methylpyridazin-3-yl)-5-(4-morpholin-4-ylphenyl)pyrrolidine-2,3-dione;4-[hydroxy-(4-propan-2-ylphenyl)methylidene]-1-(6-methylpyridazin-3-yl)-5-[4-(trifluoromethoxy)phenyl]pyrrolidine-2,3-dione;[1-(6-methylpyridazin-3-yl)-5-oxo-3-(4-propan-2-ylbenzoyl)-2-(4-propan-2-ylphenyl)-2H-pyrrol-4-yl] acetate is sourced from PubChem (CID 159529189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).