4-[hydroxy-(4-propan-2-ylphenyl)methylidene]-5-[4-[(2-methylpropan-2-yl)oxy]phenyl]-1-(6-methylpyridazin-3-yl)pyrrolidine-2,3-dione;4-[hydroxy-(4-pyridin-2-ylphenyl)methylidene]-1-(6-methylpyridazin-3-yl)-5-[4-(trifluoromethoxy)phenyl]pyrrolidine-2,3-dione;4-[hydroxy-[4-(trifluoromethoxy)phenyl]methylidene]-1-(6-methyl-3-pyridinyl)-5-(4-propan-2-ylphenyl)pyrrolidine-2,3-dione;4-methoxy-3-(4-methylbenzoyl)-1-(6-methylpyridazin-3-yl)-2-(4-propan-2-ylphenyl)-2H-pyrrol-5-one;4-methoxy-3-(4-methylbenzoyl)-1-(6-methylpyridazin-3-yl)-2-[4-(trifluoromethoxy)phenyl]-2H-pyrrol-5-one

C136H120F9N15O19 — CID 160823194

About 4-[hydroxy-(4-propan-2-ylphenyl)methylidene]-5-[4-[(2-methylpropan-2-yl)oxy]phenyl]-1-(6-methylpyridazin-3-yl)pyrrolidine-2,3-dione;4-[hydroxy-(4-pyridin-2-ylphenyl)methylidene]-1-(6-methylpyridazin-3-yl)-5-[4-(trifluoromethoxy)phenyl]pyrrolidine-2,3-dione;4-[hydroxy-[4-(trifluoromethoxy)phenyl]methylidene]-1-(6-methyl-3-pyridinyl)-5-(4-propan-2-ylphenyl)pyrrolidine-2,3-dione;4-methoxy-3-(4-methylbenzoyl)-1-(6-methylpyridazin-3-yl)-2-(4-propan-2-ylphenyl)-2H-pyrrol-5-one;4-methoxy-3-(4-methylbenzoyl)-1-(6-methylpyridazin-3-yl)-2-[4-(trifluoromethoxy)phenyl]-2H-pyrrol-5-one

4-[hydroxy-(4-propan-2-ylphenyl)methylidene]-5-[4-[(2-methylpropan-2-yl)oxy]phenyl]-1-(6-methylpyridazin-3-yl)pyrrolidine-2,3-dione;4-[hydroxy-(4-pyridin-2-ylphenyl)methylidene]-1-(6-methylpyridazin-3-yl)-5-[4-(trifluoromethoxy)phenyl]pyrrolidine-2,3-dione;4-[hydroxy-[4-(trifluoromethoxy)phenyl]methylidene]-1-(6-methyl-3-pyridinyl)-5-(4-propan-2-ylphenyl)pyrrolidine-2,3-dione;4-methoxy-3-(4-methylbenzoyl)-1-(6-methylpyridazin-3-yl)-2-(4-propan-2-ylphenyl)-2H-pyrrol-5-one;4-methoxy-3-(4-methylbenzoyl)-1-(6-methylpyridazin-3-yl)-2-[4-(trifluoromethoxy)phenyl]-2H-pyrrol-5-one (PubChem CID 160823194) has the molecular formula C136H120F9N15O19 and a molecular weight of 2439.52 g/mol. Its IUPAC name is 4-[hydroxy-(4-propan-2-ylphenyl)methylidene]-5-[4-[(2-methylpropan-2-yl)oxy]phenyl]-1-(6-methylpyridazin-3-yl)pyrrolidine-2,3-dione;4-[hydroxy-(4-pyridin-2-ylphenyl)methylidene]-1-(6-methylpyridazin-3-yl)-5-[4-(trifluoromethoxy)phenyl]pyrrolidine-2,3-dione;4-[hydroxy-[4-(trifluoromethoxy)phenyl]methylidene]-1-(6-methyl-3-pyridinyl)-5-(4-propan-2-ylphenyl)pyrrolidine-2,3-dione;4-methoxy-3-(4-methylbenzoyl)-1-(6-methylpyridazin-3-yl)-2-(4-propan-2-ylphenyl)-2H-pyrrol-5-one;4-methoxy-3-(4-methylbenzoyl)-1-(6-methylpyridazin-3-yl)-2-[4-(trifluoromethoxy)phenyl]-2H-pyrrol-5-one.

Molecular Properties

• Compound Name: 4-[hydroxy-(4-propan-2-ylphenyl)methylidene]-5-[4-[(2-methylpropan-2-yl)oxy]phenyl]-1-(6-methylpyridazin-3-yl)pyrrolidine-2,3-dione;4-[hydroxy-(4-pyridin-2-ylphenyl)methylidene]-1-(6-methylpyridazin-3-yl)-5-[4-(trifluoromethoxy)phenyl]pyrrolidine-2,3-dione;4-[hydroxy-[4-(trifluoromethoxy)phenyl]methylidene]-1-(6-methyl-3-pyridinyl)-5-(4-propan-2-ylphenyl)pyrrolidine-2,3-dione;4-methoxy-3-(4-methylbenzoyl)-1-(6-methylpyridazin-3-yl)-2-(4-propan-2-ylphenyl)-2H-pyrrol-5-one;4-methoxy-3-(4-methylbenzoyl)-1-(6-methylpyridazin-3-yl)-2-[4-(trifluoromethoxy)phenyl]-2H-pyrrol-5-one
• PubChem CID: 160823194
• Molecular Formula: C136H120F9N15O19
• Molecular Weight: 2439.52 g/mol
• Exact Mass: 2437.87
• IUPAC Name: 4-[hydroxy-(4-propan-2-ylphenyl)methylidene]-5-[4-[(2-methylpropan-2-yl)oxy]phenyl]-1-(6-methylpyridazin-3-yl)pyrrolidine-2,3-dione;4-[hydroxy-(4-pyridin-2-ylphenyl)methylidene]-1-(6-methylpyridazin-3-yl)-5-[4-(trifluoromethoxy)phenyl]pyrrolidine-2,3-dione;4-[hydroxy-[4-(trifluoromethoxy)phenyl]methylidene]-1-(6-methyl-3-pyridinyl)-5-(4-propan-2-ylphenyl)pyrrolidine-2,3-dione;4-methoxy-3-(4-methylbenzoyl)-1-(6-methylpyridazin-3-yl)-2-(4-propan-2-ylphenyl)-2H-pyrrol-5-one;4-methoxy-3-(4-methylbenzoyl)-1-(6-methylpyridazin-3-yl)-2-[4-(trifluoromethoxy)phenyl]-2H-pyrrol-5-one
• SMILES: COC1=C(C(=O)c2ccc(C)cc2)C(c2ccc(C(C)C)cc2)N(c2ccc(C)nn2)C1=O.COC1=C(C(=O)c2ccc(C)cc2)C(c2ccc(OC(F)(F)F)cc2)N(c2ccc(C)nn2)C1=O.Cc1ccc(N2C(=O)C(=O)C(=C(O)c3ccc(-c4ccccn4)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)C)cc2)nn1.Cc1ccc(N2C(=O)C(=O)C(=C(O)c3ccc(OC(F)(F)F)cc3)C2c2ccc(C(C)C)cc2)cn1
• InChI: InChI=1S/C29H31N3O4.C28H19F3N4O4.C27H23F3N2O4.C27H27N3O3.C25H20F3N3O4/c1-17(2)19-8-10-21(11-9-19)26(33)24-25(20-12-14-22(15-13-20)36-29(4,5)6)32(28(35)27(24)34)23-16-7-18(3)30-31-23;1-16-5-14-22(34-33-16)35-24(18-10-12-20(13-11-18)39-28(29,30)31)23(26(37)27(35)38)25(36)19-8-6-17(7-9-19)21-4-2-3-15-32-21;1-15(2)17-5-7-18(8-6-17)23-22(24(33)19-9-12-21(13-10-19)36-27(28,29)30)25(34)26(35)32(23)20-11-4-16(3)31-14-20;1-16(2)19-11-13-20(14-12-19)24-23(25(31)21-9-6-17(3)7-10-21)26(33-5)27(32)30(24)22-15-8-18(4)28-29-22;1-14-4-7-17(8-5-14)22(32)20-21(16-9-11-18(12-10-16)35-25(26,27)28)31(24(33)23(20)34-3)19-13-6-15(2)29-30-19/h7-17,25,33H,1-6H3;2-15,24,36H,1H3;4-15,23,33H,1-3H3;6-16,24H,1-5H3;4-13,21H,1-3H3
• InChIKey: KZYZPDSDABYWAZ-UHFFFAOYSA-N
• XLogP: 27.07
• TPSA: 431.87 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 29
• Rotatable Bonds: 27
• Heavy Atoms: 179
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2439.52
LogP ≤ 5	27.07
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	29

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-[hydroxy-(4-propan-2-ylphenyl)methylidene]-5-[4-[(2-methylpropan-2-yl)oxy]phenyl]-1-(6-methylpyridazin-3-yl)pyrrolidine-2,3-dione;4-[hydroxy-(4-pyridin-2-ylphenyl)methylidene]-1-(6-methylpyridazin-3-yl)-5-[4-(trifluoromethoxy)phenyl]pyrrolidine-2,3-dione;4-[hydroxy-[4-(trifluoromethoxy)phenyl]methylidene]-1-(6-methyl-3-pyridinyl)-5-(4-propan-2-ylphenyl)pyrrolidine-2,3-dione;4-methoxy-3-(4-methylbenzoyl)-1-(6-methylpyridazin-3-yl)-2-(4-propan-2-ylphenyl)-2H-pyrrol-5-one;4-methoxy-3-(4-methylbenzoyl)-1-(6-methylpyridazin-3-yl)-2-[4-(trifluoromethoxy)phenyl]-2H-pyrrol-5-one?

The IUPAC name of 4-[hydroxy-(4-propan-2-ylphenyl)methylidene]-5-[4-[(2-methylpropan-2-yl)oxy]phenyl]-1-(6-methylpyridazin-3-yl)pyrrolidine-2,3-dione;4-[hydroxy-(4-pyridin-2-ylphenyl)methylidene]-1-(6-methylpyridazin-3-yl)-5-[4-(trifluoromethoxy)phenyl]pyrrolidine-2,3-dione;4-[hydroxy-[4-(trifluoromethoxy)phenyl]methylidene]-1-(6-methyl-3-pyridinyl)-5-(4-propan-2-ylphenyl)pyrrolidine-2,3-dione;4-methoxy-3-(4-methylbenzoyl)-1-(6-methylpyridazin-3-yl)-2-(4-propan-2-ylphenyl)-2H-pyrrol-5-one;4-methoxy-3-(4-methylbenzoyl)-1-(6-methylpyridazin-3-yl)-2-[4-(trifluoromethoxy)phenyl]-2H-pyrrol-5-one (CID 160823194) is 4-[hydroxy-(4-propan-2-ylphenyl)methylidene]-5-[4-[(2-methylpropan-2-yl)oxy]phenyl]-1-(6-methylpyridazin-3-yl)pyrrolidine-2,3-dione;4-[hydroxy-(4-pyridin-2-ylphenyl)methylidene]-1-(6-methylpyridazin-3-yl)-5-[4-(trifluoromethoxy)phenyl]pyrrolidine-2,3-dione;4-[hydroxy-[4-(trifluoromethoxy)phenyl]methylidene]-1-(6-methyl-3-pyridinyl)-5-(4-propan-2-ylphenyl)pyrrolidine-2,3-dione;4-methoxy-3-(4-methylbenzoyl)-1-(6-methylpyridazin-3-yl)-2-(4-propan-2-ylphenyl)-2H-pyrrol-5-one;4-methoxy-3-(4-methylbenzoyl)-1-(6-methylpyridazin-3-yl)-2-[4-(trifluoromethoxy)phenyl]-2H-pyrrol-5-one.

What is the SMILES notation for 4-[hydroxy-(4-propan-2-ylphenyl)methylidene]-5-[4-[(2-methylpropan-2-yl)oxy]phenyl]-1-(6-methylpyridazin-3-yl)pyrrolidine-2,3-dione;4-[hydroxy-(4-pyridin-2-ylphenyl)methylidene]-1-(6-methylpyridazin-3-yl)-5-[4-(trifluoromethoxy)phenyl]pyrrolidine-2,3-dione;4-[hydroxy-[4-(trifluoromethoxy)phenyl]methylidene]-1-(6-methyl-3-pyridinyl)-5-(4-propan-2-ylphenyl)pyrrolidine-2,3-dione;4-methoxy-3-(4-methylbenzoyl)-1-(6-methylpyridazin-3-yl)-2-(4-propan-2-ylphenyl)-2H-pyrrol-5-one;4-methoxy-3-(4-methylbenzoyl)-1-(6-methylpyridazin-3-yl)-2-[4-(trifluoromethoxy)phenyl]-2H-pyrrol-5-one?

The canonical SMILES for 4-[hydroxy-(4-propan-2-ylphenyl)methylidene]-5-[4-[(2-methylpropan-2-yl)oxy]phenyl]-1-(6-methylpyridazin-3-yl)pyrrolidine-2,3-dione;4-[hydroxy-(4-pyridin-2-ylphenyl)methylidene]-1-(6-methylpyridazin-3-yl)-5-[4-(trifluoromethoxy)phenyl]pyrrolidine-2,3-dione;4-[hydroxy-[4-(trifluoromethoxy)phenyl]methylidene]-1-(6-methyl-3-pyridinyl)-5-(4-propan-2-ylphenyl)pyrrolidine-2,3-dione;4-methoxy-3-(4-methylbenzoyl)-1-(6-methylpyridazin-3-yl)-2-(4-propan-2-ylphenyl)-2H-pyrrol-5-one;4-methoxy-3-(4-methylbenzoyl)-1-(6-methylpyridazin-3-yl)-2-[4-(trifluoromethoxy)phenyl]-2H-pyrrol-5-one is COC1=C(C(=O)c2ccc(C)cc2)C(c2ccc(C(C)C)cc2)N(c2ccc(C)nn2)C1=O.COC1=C(C(=O)c2ccc(C)cc2)C(c2ccc(OC(F)(F)F)cc2)N(c2ccc(C)nn2)C1=O.Cc1ccc(N2C(=O)C(=O)C(=C(O)c3ccc(-c4ccccn4)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)C)cc2)nn1.Cc1ccc(N2C(=O)C(=O)C(=C(O)c3ccc(OC(F)(F)F)cc3)C2c2ccc(C(C)C)cc2)cn1.

What is the InChIKey of 4-[hydroxy-(4-propan-2-ylphenyl)methylidene]-5-[4-[(2-methylpropan-2-yl)oxy]phenyl]-1-(6-methylpyridazin-3-yl)pyrrolidine-2,3-dione;4-[hydroxy-(4-pyridin-2-ylphenyl)methylidene]-1-(6-methylpyridazin-3-yl)-5-[4-(trifluoromethoxy)phenyl]pyrrolidine-2,3-dione;4-[hydroxy-[4-(trifluoromethoxy)phenyl]methylidene]-1-(6-methyl-3-pyridinyl)-5-(4-propan-2-ylphenyl)pyrrolidine-2,3-dione;4-methoxy-3-(4-methylbenzoyl)-1-(6-methylpyridazin-3-yl)-2-(4-propan-2-ylphenyl)-2H-pyrrol-5-one;4-methoxy-3-(4-methylbenzoyl)-1-(6-methylpyridazin-3-yl)-2-[4-(trifluoromethoxy)phenyl]-2H-pyrrol-5-one?

The InChIKey is KZYZPDSDABYWAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H31N3O4.C28H19F3N4O4.C27H23F3N2O4.C27H27N3O3.C25H20F3N3O4/c1-17(2)19-8-10-21(11-9-19)26(33)24-25(20-12-14-22(15-13-20)36-29(4,5)6)32(28(35)27(24)34)23-16-7-18(3)30-31-23;1-16-5-14-22(34-33-16)35-24(18-10-12-20(13-11-18)39-28(29,30)31)23(26(37)27(35)38)25(36)19-8-6-17(7-9-19)21-4-2-3-15-32-21;1-15(2)17-5-7-18(8-6-17)23-22(24(33)19-9-12-21(13-10-19)36-27(28,29)30)25(34)26(35)32(23)20-11-4-16(3)31-14-20;1-16(2)19-11-13-20(14-12-19)24-23(25(31)21-9-6-17(3)7-10-21)26(33-5)27(32)30(24)22-15-8-18(4)28-29-22;1-14-4-7-17(8-5-14)22(32)20-21(16-9-11-18(12-10-16)35-25(26,27)28)31(24(33)23(20)34-3)19-13-6-15(2)29-30-19/h7-17,25,33H,1-6H3;2-15,24,36H,1H3;4-15,23,33H,1-3H3;6-16,24H,1-5H3;4-13,21H,1-3H3.

What are the key properties of 4-[hydroxy-(4-propan-2-ylphenyl)methylidene]-5-[4-[(2-methylpropan-2-yl)oxy]phenyl]-1-(6-methylpyridazin-3-yl)pyrrolidine-2,3-dione;4-[hydroxy-(4-pyridin-2-ylphenyl)methylidene]-1-(6-methylpyridazin-3-yl)-5-[4-(trifluoromethoxy)phenyl]pyrrolidine-2,3-dione;4-[hydroxy-[4-(trifluoromethoxy)phenyl]methylidene]-1-(6-methyl-3-pyridinyl)-5-(4-propan-2-ylphenyl)pyrrolidine-2,3-dione;4-methoxy-3-(4-methylbenzoyl)-1-(6-methylpyridazin-3-yl)-2-(4-propan-2-ylphenyl)-2H-pyrrol-5-one;4-methoxy-3-(4-methylbenzoyl)-1-(6-methylpyridazin-3-yl)-2-[4-(trifluoromethoxy)phenyl]-2H-pyrrol-5-one?

4-[hydroxy-(4-propan-2-ylphenyl)methylidene]-5-[4-[(2-methylpropan-2-yl)oxy]phenyl]-1-(6-methylpyridazin-3-yl)pyrrolidine-2,3-dione;4-[hydroxy-(4-pyridin-2-ylphenyl)methylidene]-1-(6-methylpyridazin-3-yl)-5-[4-(trifluoromethoxy)phenyl]pyrrolidine-2,3-dione;4-[hydroxy-[4-(trifluoromethoxy)phenyl]methylidene]-1-(6-methyl-3-pyridinyl)-5-(4-propan-2-ylphenyl)pyrrolidine-2,3-dione;4-methoxy-3-(4-methylbenzoyl)-1-(6-methylpyridazin-3-yl)-2-(4-propan-2-ylphenyl)-2H-pyrrol-5-one;4-methoxy-3-(4-methylbenzoyl)-1-(6-methylpyridazin-3-yl)-2-[4-(trifluoromethoxy)phenyl]-2H-pyrrol-5-one has a molecular weight of 2439.52 g/mol, XLogP of 27.07, 27 rotatable bonds, 3 hydrogen bond donors, and 29 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[hydroxy-(4-propan-2-ylphenyl)methylidene]-5-[4-[(2-methylpropan-2-yl)oxy]phenyl]-1-(6-methylpyridazin-3-yl)pyrrolidine-2,3-dione;4-[hydroxy-(4-pyridin-2-ylphenyl)methylidene]-1-(6-methylpyridazin-3-yl)-5-[4-(trifluoromethoxy)phenyl]pyrrolidine-2,3-dione;4-[hydroxy-[4-(trifluoromethoxy)phenyl]methylidene]-1-(6-methyl-3-pyridinyl)-5-(4-propan-2-ylphenyl)pyrrolidine-2,3-dione;4-methoxy-3-(4-methylbenzoyl)-1-(6-methylpyridazin-3-yl)-2-(4-propan-2-ylphenyl)-2H-pyrrol-5-one;4-methoxy-3-(4-methylbenzoyl)-1-(6-methylpyridazin-3-yl)-2-[4-(trifluoromethoxy)phenyl]-2H-pyrrol-5-one is sourced from PubChem (CID 160823194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).