4-[hydroxy-[4-(2-methoxyethoxy)phenyl]methylidene]-1-(6-methylpyridazin-3-yl)-5-[4-(trifluoromethoxy)phenyl]pyrrolidine-2,3-dione;4-[(2-methoxyethoxyamino)-(4-propan-2-ylphenyl)methylidene]-1-(6-methylpyridazin-3-yl)-5-[4-(trifluoromethoxy)phenyl]pyrrolidine-2,3-dione;2-[[[1-(6-methylpyridazin-3-yl)-4,5-dioxo-2-[4-(trifluoromethoxy)phenyl]pyrrolidin-3-ylidene]-(4-propan-2-ylphenyl)methyl]amino]oxyacetic acid;[1-(6-methylpyridazin-3-yl)-5-oxo-3-(4-propan-2-ylbenzoyl)-2-[4-(trifluoromethoxy)phenyl]-2H-pyrrol-4-yl] acetate

C₁₁₁H₁₀₀F₁₂N₁₄O₂₂ — CID 157217120

About 4-[hydroxy-[4-(2-methoxyethoxy)phenyl]methylidene]-1-(6-methylpyridazin-3-yl)-5-[4-(trifluoromethoxy)phenyl]pyrrolidine-2,3-dione;4-[(2-methoxyethoxyamino)-(4-propan-2-ylphenyl)methylidene]-1-(6-methylpyridazin-3-yl)-5-[4-(trifluoromethoxy)phenyl]pyrrolidine-2,3-dione;2-[[[1-(6-methylpyridazin-3-yl)-4,5-dioxo-2-[4-(trifluoromethoxy)phenyl]pyrrolidin-3-ylidene]-(4-propan-2-ylphenyl)methyl]amino]oxyacetic acid;[1-(6-methylpyridazin-3-yl)-5-oxo-3-(4-propan-2-ylbenzoyl)-2-[4-(trifluoromethoxy)phenyl]-2H-pyrrol-4-yl] acetate

4-[hydroxy-[4-(2-methoxyethoxy)phenyl]methylidene]-1-(6-methylpyridazin-3-yl)-5-[4-(trifluoromethoxy)phenyl]pyrrolidine-2,3-dione;4-[(2-methoxyethoxyamino)-(4-propan-2-ylphenyl)methylidene]-1-(6-methylpyridazin-3-yl)-5-[4-(trifluoromethoxy)phenyl]pyrrolidine-2,3-dione;2-[[[1-(6-methylpyridazin-3-yl)-4,5-dioxo-2-[4-(trifluoromethoxy)phenyl]pyrrolidin-3-ylidene]-(4-propan-2-ylphenyl)methyl]amino]oxyacetic acid;[1-(6-methylpyridazin-3-yl)-5-oxo-3-(4-propan-2-ylbenzoyl)-2-[4-(trifluoromethoxy)phenyl]-2H-pyrrol-4-yl] acetate (PubChem CID 157217120) has the molecular formula C₁₁₁H₁₀₀F₁₂N₁₄O₂₂ and a molecular weight of 2210.07 g/mol. Its IUPAC name is 4-[hydroxy-[4-(2-methoxyethoxy)phenyl]methylidene]-1-(6-methylpyridazin-3-yl)-5-[4-(trifluoromethoxy)phenyl]pyrrolidine-2,3-dione;4-[(2-methoxyethoxyamino)-(4-propan-2-ylphenyl)methylidene]-1-(6-methylpyridazin-3-yl)-5-[4-(trifluoromethoxy)phenyl]pyrrolidine-2,3-dione;2-[[[1-(6-methylpyridazin-3-yl)-4,5-dioxo-2-[4-(trifluoromethoxy)phenyl]pyrrolidin-3-ylidene]-(4-propan-2-ylphenyl)methyl]amino]oxyacetic acid;[1-(6-methylpyridazin-3-yl)-5-oxo-3-(4-propan-2-ylbenzoyl)-2-[4-(trifluoromethoxy)phenyl]-2H-pyrrol-4-yl] acetate.

Molecular Properties

• Compound Name: 4-[hydroxy-[4-(2-methoxyethoxy)phenyl]methylidene]-1-(6-methylpyridazin-3-yl)-5-[4-(trifluoromethoxy)phenyl]pyrrolidine-2,3-dione;4-[(2-methoxyethoxyamino)-(4-propan-2-ylphenyl)methylidene]-1-(6-methylpyridazin-3-yl)-5-[4-(trifluoromethoxy)phenyl]pyrrolidine-2,3-dione;2-[[[1-(6-methylpyridazin-3-yl)-4,5-dioxo-2-[4-(trifluoromethoxy)phenyl]pyrrolidin-3-ylidene]-(4-propan-2-ylphenyl)methyl]amino]oxyacetic acid;[1-(6-methylpyridazin-3-yl)-5-oxo-3-(4-propan-2-ylbenzoyl)-2-[4-(trifluoromethoxy)phenyl]-2H-pyrrol-4-yl] acetate
• PubChem CID: 157217120
• Molecular Formula: C₁₁₁H₁₀₀F₁₂N₁₄O₂₂
• Molecular Weight: 2210.07 g/mol
• Exact Mass: 2208.69
• IUPAC Name: 4-[hydroxy-[4-(2-methoxyethoxy)phenyl]methylidene]-1-(6-methylpyridazin-3-yl)-5-[4-(trifluoromethoxy)phenyl]pyrrolidine-2,3-dione;4-[(2-methoxyethoxyamino)-(4-propan-2-ylphenyl)methylidene]-1-(6-methylpyridazin-3-yl)-5-[4-(trifluoromethoxy)phenyl]pyrrolidine-2,3-dione;2-[[[1-(6-methylpyridazin-3-yl)-4,5-dioxo-2-[4-(trifluoromethoxy)phenyl]pyrrolidin-3-ylidene]-(4-propan-2-ylphenyl)methyl]amino]oxyacetic acid;[1-(6-methylpyridazin-3-yl)-5-oxo-3-(4-propan-2-ylbenzoyl)-2-[4-(trifluoromethoxy)phenyl]-2H-pyrrol-4-yl] acetate
• SMILES: CC(=O)OC1=C(C(=O)c2ccc(C(C)C)cc2)C(c2ccc(OC(F)(F)F)cc2)N(c2ccc(C)nn2)C1=O.COCCONC(=C1C(=O)C(=O)N(c2ccc(C)nn2)C1c1ccc(OC(F)(F)F)cc1)c1ccc(C(C)C)cc1.COCCOc1ccc(C(O)=C2C(=O)C(=O)N(c3ccc(C)nn3)C2c2ccc(OC(F)(F)F)cc2)cc1.Cc1ccc(N2C(=O)C(=O)C(=C(NOCC(=O)O)c3ccc(C(C)C)cc3)C2c2ccc(OC(F)(F)F)cc2)nn1
• InChI: InChI=1S/C29H29F3N4O5.C28H25F3N4O6.C28H24F3N3O5.C26H22F3N3O6/c1-17(2)19-6-8-20(9-7-19)25(35-40-16-15-39-4)24-26(21-10-12-22(13-11-21)41-29(30,31)32)36(28(38)27(24)37)23-14-5-18(3)33-34-23;1-15(2)17-5-7-18(8-6-17)24(34-40-14-22(36)37)23-25(19-9-11-20(12-10-19)41-28(29,30)31)35(27(39)26(23)38)21-13-4-16(3)32-33-21;1-15(2)18-6-8-20(9-7-18)25(36)23-24(19-10-12-21(13-11-19)39-28(29,30)31)34(22-14-5-16(3)32-33-22)27(37)26(23)38-17(4)35;1-15-3-12-20(31-30-15)32-22(16-4-10-19(11-5-16)38-26(27,28)29)21(24(34)25(32)35)23(33)17-6-8-18(9-7-17)37-14-13-36-2/h5-14,17,26,35H,15-16H2,1-4H3;4-13,15,25,34H,14H2,1-3H3,(H,36,37);5-15,24H,1-4H3;3-12,22,33H,13-14H2,1-2H3
• InChIKey: MGPPBYWGKOTXGF-UHFFFAOYSA-N
• XLogP: 19.45
• TPSA: 443.60 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 31
• Rotatable Bonds: 34
• Heavy Atoms: 159
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2210.07
LogP ≤ 5	19.45
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': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-[hydroxy-[4-(2-methoxyethoxy)phenyl]methylidene]-1-(6-methylpyridazin-3-yl)-5-[4-(trifluoromethoxy)phenyl]pyrrolidine-2,3-dione;4-[(2-methoxyethoxyamino)-(4-propan-2-ylphenyl)methylidene]-1-(6-methylpyridazin-3-yl)-5-[4-(trifluoromethoxy)phenyl]pyrrolidine-2,3-dione;2-[[[1-(6-methylpyridazin-3-yl)-4,5-dioxo-2-[4-(trifluoromethoxy)phenyl]pyrrolidin-3-ylidene]-(4-propan-2-ylphenyl)methyl]amino]oxyacetic acid;[1-(6-methylpyridazin-3-yl)-5-oxo-3-(4-propan-2-ylbenzoyl)-2-[4-(trifluoromethoxy)phenyl]-2H-pyrrol-4-yl] acetate?

The IUPAC name of 4-[hydroxy-[4-(2-methoxyethoxy)phenyl]methylidene]-1-(6-methylpyridazin-3-yl)-5-[4-(trifluoromethoxy)phenyl]pyrrolidine-2,3-dione;4-[(2-methoxyethoxyamino)-(4-propan-2-ylphenyl)methylidene]-1-(6-methylpyridazin-3-yl)-5-[4-(trifluoromethoxy)phenyl]pyrrolidine-2,3-dione;2-[[[1-(6-methylpyridazin-3-yl)-4,5-dioxo-2-[4-(trifluoromethoxy)phenyl]pyrrolidin-3-ylidene]-(4-propan-2-ylphenyl)methyl]amino]oxyacetic acid;[1-(6-methylpyridazin-3-yl)-5-oxo-3-(4-propan-2-ylbenzoyl)-2-[4-(trifluoromethoxy)phenyl]-2H-pyrrol-4-yl] acetate (CID 157217120) is 4-[hydroxy-[4-(2-methoxyethoxy)phenyl]methylidene]-1-(6-methylpyridazin-3-yl)-5-[4-(trifluoromethoxy)phenyl]pyrrolidine-2,3-dione;4-[(2-methoxyethoxyamino)-(4-propan-2-ylphenyl)methylidene]-1-(6-methylpyridazin-3-yl)-5-[4-(trifluoromethoxy)phenyl]pyrrolidine-2,3-dione;2-[[[1-(6-methylpyridazin-3-yl)-4,5-dioxo-2-[4-(trifluoromethoxy)phenyl]pyrrolidin-3-ylidene]-(4-propan-2-ylphenyl)methyl]amino]oxyacetic acid;[1-(6-methylpyridazin-3-yl)-5-oxo-3-(4-propan-2-ylbenzoyl)-2-[4-(trifluoromethoxy)phenyl]-2H-pyrrol-4-yl] acetate.

What is the SMILES notation for 4-[hydroxy-[4-(2-methoxyethoxy)phenyl]methylidene]-1-(6-methylpyridazin-3-yl)-5-[4-(trifluoromethoxy)phenyl]pyrrolidine-2,3-dione;4-[(2-methoxyethoxyamino)-(4-propan-2-ylphenyl)methylidene]-1-(6-methylpyridazin-3-yl)-5-[4-(trifluoromethoxy)phenyl]pyrrolidine-2,3-dione;2-[[[1-(6-methylpyridazin-3-yl)-4,5-dioxo-2-[4-(trifluoromethoxy)phenyl]pyrrolidin-3-ylidene]-(4-propan-2-ylphenyl)methyl]amino]oxyacetic acid;[1-(6-methylpyridazin-3-yl)-5-oxo-3-(4-propan-2-ylbenzoyl)-2-[4-(trifluoromethoxy)phenyl]-2H-pyrrol-4-yl] acetate?

The canonical SMILES for 4-[hydroxy-[4-(2-methoxyethoxy)phenyl]methylidene]-1-(6-methylpyridazin-3-yl)-5-[4-(trifluoromethoxy)phenyl]pyrrolidine-2,3-dione;4-[(2-methoxyethoxyamino)-(4-propan-2-ylphenyl)methylidene]-1-(6-methylpyridazin-3-yl)-5-[4-(trifluoromethoxy)phenyl]pyrrolidine-2,3-dione;2-[[[1-(6-methylpyridazin-3-yl)-4,5-dioxo-2-[4-(trifluoromethoxy)phenyl]pyrrolidin-3-ylidene]-(4-propan-2-ylphenyl)methyl]amino]oxyacetic acid;[1-(6-methylpyridazin-3-yl)-5-oxo-3-(4-propan-2-ylbenzoyl)-2-[4-(trifluoromethoxy)phenyl]-2H-pyrrol-4-yl] acetate is CC(=O)OC1=C(C(=O)c2ccc(C(C)C)cc2)C(c2ccc(OC(F)(F)F)cc2)N(c2ccc(C)nn2)C1=O.COCCONC(=C1C(=O)C(=O)N(c2ccc(C)nn2)C1c1ccc(OC(F)(F)F)cc1)c1ccc(C(C)C)cc1.COCCOc1ccc(C(O)=C2C(=O)C(=O)N(c3ccc(C)nn3)C2c2ccc(OC(F)(F)F)cc2)cc1.Cc1ccc(N2C(=O)C(=O)C(=C(NOCC(=O)O)c3ccc(C(C)C)cc3)C2c2ccc(OC(F)(F)F)cc2)nn1.

What is the InChIKey of 4-[hydroxy-[4-(2-methoxyethoxy)phenyl]methylidene]-1-(6-methylpyridazin-3-yl)-5-[4-(trifluoromethoxy)phenyl]pyrrolidine-2,3-dione;4-[(2-methoxyethoxyamino)-(4-propan-2-ylphenyl)methylidene]-1-(6-methylpyridazin-3-yl)-5-[4-(trifluoromethoxy)phenyl]pyrrolidine-2,3-dione;2-[[[1-(6-methylpyridazin-3-yl)-4,5-dioxo-2-[4-(trifluoromethoxy)phenyl]pyrrolidin-3-ylidene]-(4-propan-2-ylphenyl)methyl]amino]oxyacetic acid;[1-(6-methylpyridazin-3-yl)-5-oxo-3-(4-propan-2-ylbenzoyl)-2-[4-(trifluoromethoxy)phenyl]-2H-pyrrol-4-yl] acetate?

The InChIKey is MGPPBYWGKOTXGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H29F3N4O5.C28H25F3N4O6.C28H24F3N3O5.C26H22F3N3O6/c1-17(2)19-6-8-20(9-7-19)25(35-40-16-15-39-4)24-26(21-10-12-22(13-11-21)41-29(30,31)32)36(28(38)27(24)37)23-14-5-18(3)33-34-23;1-15(2)17-5-7-18(8-6-17)24(34-40-14-22(36)37)23-25(19-9-11-20(12-10-19)41-28(29,30)31)35(27(39)26(23)38)21-13-4-16(3)32-33-21;1-15(2)18-6-8-20(9-7-18)25(36)23-24(19-10-12-21(13-11-19)39-28(29,30)31)34(22-14-5-16(3)32-33-22)27(37)26(23)38-17(4)35;1-15-3-12-20(31-30-15)32-22(16-4-10-19(11-5-16)38-26(27,28)29)21(24(34)25(32)35)23(33)17-6-8-18(9-7-17)37-14-13-36-2/h5-14,17,26,35H,15-16H2,1-4H3;4-13,15,25,34H,14H2,1-3H3,(H,36,37);5-15,24H,1-4H3;3-12,22,33H,13-14H2,1-2H3.

What are the key properties of 4-[hydroxy-[4-(2-methoxyethoxy)phenyl]methylidene]-1-(6-methylpyridazin-3-yl)-5-[4-(trifluoromethoxy)phenyl]pyrrolidine-2,3-dione;4-[(2-methoxyethoxyamino)-(4-propan-2-ylphenyl)methylidene]-1-(6-methylpyridazin-3-yl)-5-[4-(trifluoromethoxy)phenyl]pyrrolidine-2,3-dione;2-[[[1-(6-methylpyridazin-3-yl)-4,5-dioxo-2-[4-(trifluoromethoxy)phenyl]pyrrolidin-3-ylidene]-(4-propan-2-ylphenyl)methyl]amino]oxyacetic acid;[1-(6-methylpyridazin-3-yl)-5-oxo-3-(4-propan-2-ylbenzoyl)-2-[4-(trifluoromethoxy)phenyl]-2H-pyrrol-4-yl] acetate?

4-[hydroxy-[4-(2-methoxyethoxy)phenyl]methylidene]-1-(6-methylpyridazin-3-yl)-5-[4-(trifluoromethoxy)phenyl]pyrrolidine-2,3-dione;4-[(2-methoxyethoxyamino)-(4-propan-2-ylphenyl)methylidene]-1-(6-methylpyridazin-3-yl)-5-[4-(trifluoromethoxy)phenyl]pyrrolidine-2,3-dione;2-[[[1-(6-methylpyridazin-3-yl)-4,5-dioxo-2-[4-(trifluoromethoxy)phenyl]pyrrolidin-3-ylidene]-(4-propan-2-ylphenyl)methyl]amino]oxyacetic acid;[1-(6-methylpyridazin-3-yl)-5-oxo-3-(4-propan-2-ylbenzoyl)-2-[4-(trifluoromethoxy)phenyl]-2H-pyrrol-4-yl] acetate has a molecular weight of 2210.07 g/mol, XLogP of 19.45, 34 rotatable bonds, 4 hydrogen bond donors, and 31 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[hydroxy-[4-(2-methoxyethoxy)phenyl]methylidene]-1-(6-methylpyridazin-3-yl)-5-[4-(trifluoromethoxy)phenyl]pyrrolidine-2,3-dione;4-[(2-methoxyethoxyamino)-(4-propan-2-ylphenyl)methylidene]-1-(6-methylpyridazin-3-yl)-5-[4-(trifluoromethoxy)phenyl]pyrrolidine-2,3-dione;2-[[[1-(6-methylpyridazin-3-yl)-4,5-dioxo-2-[4-(trifluoromethoxy)phenyl]pyrrolidin-3-ylidene]-(4-propan-2-ylphenyl)methyl]amino]oxyacetic acid;[1-(6-methylpyridazin-3-yl)-5-oxo-3-(4-propan-2-ylbenzoyl)-2-[4-(trifluoromethoxy)phenyl]-2H-pyrrol-4-yl] acetate is sourced from PubChem (CID 157217120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 157217120 — identifiers, structure, computed properties (public domain)

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