5-[6-(1,1-difluoroethyl)-3-pyridinyl]-4-[hydroxy-(4-propan-2-ylphenyl)methylidene]-1-(6-methylpyridazin-3-yl)pyrrolidine-2,3-dione;(5R)-4-[hydroxy-(4-propan-2-ylphenyl)methylidene]-1-(6-methylpyridazin-3-yl)-5-[4-(trifluoromethoxy)phenyl]pyrrolidine-2,3-dione;(5S)-4-[hydroxy-(4-propan-2-ylphenyl)methylidene]-1-(6-methylpyridazin-3-yl)-5-[4-(trifluoromethoxy)phenyl]pyrrolidine-2,3-dione;(5S)-4-[hydroxy-(4-propan-2-ylphenyl)methylidene]-1-(6-methylpyridazin-3-yl)-5-[4-(trifluoromethyl)phenyl]pyrrolidine-2,3-dione;[1-(6-methylpyridazin-3-yl)-5-oxo-3-(4-propan-2-ylbenzoyl)-2-[4-(trifluoromethoxy)phenyl]-2H-pyrrol-4-yl] 2-methylpropanoate

C₁₃₄H₁₁₈F₁₄N₁₆O₁₉ — CID 159260742

About 5-[6-(1,1-difluoroethyl)-3-pyridinyl]-4-[hydroxy-(4-propan-2-ylphenyl)methylidene]-1-(6-methylpyridazin-3-yl)pyrrolidine-2,3-dione;(5R)-4-[hydroxy-(4-propan-2-ylphenyl)methylidene]-1-(6-methylpyridazin-3-yl)-5-[4-(trifluoromethoxy)phenyl]pyrrolidine-2,3-dione;(5S)-4-[hydroxy-(4-propan-2-ylphenyl)methylidene]-1-(6-methylpyridazin-3-yl)-5-[4-(trifluoromethoxy)phenyl]pyrrolidine-2,3-dione;(5S)-4-[hydroxy-(4-propan-2-ylphenyl)methylidene]-1-(6-methylpyridazin-3-yl)-5-[4-(trifluoromethyl)phenyl]pyrrolidine-2,3-dione;[1-(6-methylpyridazin-3-yl)-5-oxo-3-(4-propan-2-ylbenzoyl)-2-[4-(trifluoromethoxy)phenyl]-2H-pyrrol-4-yl] 2-methylpropanoate

5-[6-(1,1-difluoroethyl)-3-pyridinyl]-4-[hydroxy-(4-propan-2-ylphenyl)methylidene]-1-(6-methylpyridazin-3-yl)pyrrolidine-2,3-dione;(5R)-4-[hydroxy-(4-propan-2-ylphenyl)methylidene]-1-(6-methylpyridazin-3-yl)-5-[4-(trifluoromethoxy)phenyl]pyrrolidine-2,3-dione;(5S)-4-[hydroxy-(4-propan-2-ylphenyl)methylidene]-1-(6-methylpyridazin-3-yl)-5-[4-(trifluoromethoxy)phenyl]pyrrolidine-2,3-dione;(5S)-4-[hydroxy-(4-propan-2-ylphenyl)methylidene]-1-(6-methylpyridazin-3-yl)-5-[4-(trifluoromethyl)phenyl]pyrrolidine-2,3-dione;[1-(6-methylpyridazin-3-yl)-5-oxo-3-(4-propan-2-ylbenzoyl)-2-[4-(trifluoromethoxy)phenyl]-2H-pyrrol-4-yl] 2-methylpropanoate (PubChem CID 159260742) has the molecular formula C₁₃₄H₁₁₈F₁₄N₁₆O₁₉ and a molecular weight of 2522.48 g/mol. Its IUPAC name is 5-[6-(1,1-difluoroethyl)-3-pyridinyl]-4-[hydroxy-(4-propan-2-ylphenyl)methylidene]-1-(6-methylpyridazin-3-yl)pyrrolidine-2,3-dione;(5R)-4-[hydroxy-(4-propan-2-ylphenyl)methylidene]-1-(6-methylpyridazin-3-yl)-5-[4-(trifluoromethoxy)phenyl]pyrrolidine-2,3-dione;(5S)-4-[hydroxy-(4-propan-2-ylphenyl)methylidene]-1-(6-methylpyridazin-3-yl)-5-[4-(trifluoromethoxy)phenyl]pyrrolidine-2,3-dione;(5S)-4-[hydroxy-(4-propan-2-ylphenyl)methylidene]-1-(6-methylpyridazin-3-yl)-5-[4-(trifluoromethyl)phenyl]pyrrolidine-2,3-dione;[1-(6-methylpyridazin-3-yl)-5-oxo-3-(4-propan-2-ylbenzoyl)-2-[4-(trifluoromethoxy)phenyl]-2H-pyrrol-4-yl] 2-methylpropanoate.

Molecular Properties

• Compound Name: 5-[6-(1,1-difluoroethyl)-3-pyridinyl]-4-[hydroxy-(4-propan-2-ylphenyl)methylidene]-1-(6-methylpyridazin-3-yl)pyrrolidine-2,3-dione;(5R)-4-[hydroxy-(4-propan-2-ylphenyl)methylidene]-1-(6-methylpyridazin-3-yl)-5-[4-(trifluoromethoxy)phenyl]pyrrolidine-2,3-dione;(5S)-4-[hydroxy-(4-propan-2-ylphenyl)methylidene]-1-(6-methylpyridazin-3-yl)-5-[4-(trifluoromethoxy)phenyl]pyrrolidine-2,3-dione;(5S)-4-[hydroxy-(4-propan-2-ylphenyl)methylidene]-1-(6-methylpyridazin-3-yl)-5-[4-(trifluoromethyl)phenyl]pyrrolidine-2,3-dione;[1-(6-methylpyridazin-3-yl)-5-oxo-3-(4-propan-2-ylbenzoyl)-2-[4-(trifluoromethoxy)phenyl]-2H-pyrrol-4-yl] 2-methylpropanoate
• PubChem CID: 159260742
• Molecular Formula: C₁₃₄H₁₁₈F₁₄N₁₆O₁₉
• Molecular Weight: 2522.48 g/mol
• Exact Mass: 2520.85
• IUPAC Name: 5-[6-(1,1-difluoroethyl)-3-pyridinyl]-4-[hydroxy-(4-propan-2-ylphenyl)methylidene]-1-(6-methylpyridazin-3-yl)pyrrolidine-2,3-dione;(5R)-4-[hydroxy-(4-propan-2-ylphenyl)methylidene]-1-(6-methylpyridazin-3-yl)-5-[4-(trifluoromethoxy)phenyl]pyrrolidine-2,3-dione;(5S)-4-[hydroxy-(4-propan-2-ylphenyl)methylidene]-1-(6-methylpyridazin-3-yl)-5-[4-(trifluoromethoxy)phenyl]pyrrolidine-2,3-dione;(5S)-4-[hydroxy-(4-propan-2-ylphenyl)methylidene]-1-(6-methylpyridazin-3-yl)-5-[4-(trifluoromethyl)phenyl]pyrrolidine-2,3-dione;[1-(6-methylpyridazin-3-yl)-5-oxo-3-(4-propan-2-ylbenzoyl)-2-[4-(trifluoromethoxy)phenyl]-2H-pyrrol-4-yl] 2-methylpropanoate
• SMILES: Cc1ccc(N2C(=O)C(=O)C(=C(O)c3ccc(C(C)C)cc3)C2c2ccc(C(C)(F)F)nc2)nn1.Cc1ccc(N2C(=O)C(=O)C(=C(O)c3ccc(C(C)C)cc3)[C@@H]2c2ccc(C(F)(F)F)cc2)nn1.Cc1ccc(N2C(=O)C(=O)C(=C(O)c3ccc(C(C)C)cc3)[C@@H]2c2ccc(OC(F)(F)F)cc2)nn1.Cc1ccc(N2C(=O)C(=O)C(=C(O)c3ccc(C(C)C)cc3)[C@H]2c2ccc(OC(F)(F)F)cc2)nn1.Cc1ccc(N2C(=O)C(OC(=O)C(C)C)=C(C(=O)c3ccc(C(C)C)cc3)C2c2ccc(OC(F)(F)F)cc2)nn1
• InChI: InChI=1S/C30H28F3N3O5.2C26H22F3N3O4.C26H22F3N3O3.C26H24F2N4O3/c1-16(2)19-7-9-21(10-8-19)26(37)24-25(20-11-13-22(14-12-20)41-30(31,32)33)36(23-15-6-18(5)34-35-23)28(38)27(24)40-29(39)17(3)4;2*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(2)16-5-7-18(8-6-16)23(33)21-22(17-9-11-19(12-10-17)26(27,28)29)32(25(35)24(21)34)20-13-4-15(3)30-31-20;1-14(2)16-6-8-17(9-7-16)23(33)21-22(18-10-11-19(29-13-18)26(4,27)28)32(25(35)24(21)34)20-12-5-15(3)30-31-20/h6-17,25H,1-5H3;2*4-14,22,33H,1-3H3;4-14,22,33H,1-3H3;5-14,22,33H,1-4H3/t;3*22-;/m.100./s1
• InChIKey: UZGCRFYZOZHHLA-JGJIQLFOSA-N
• XLogP: 27.69
• TPSA: 463.60 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 30
• Rotatable Bonds: 27
• Heavy Atoms: 183
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2522.48
LogP ≤ 5	27.69
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	30

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-(1,1-difluoroethyl)-3-pyridinyl]-4-[hydroxy-(4-propan-2-ylphenyl)methylidene]-1-(6-methylpyridazin-3-yl)pyrrolidine-2,3-dione;(5R)-4-[hydroxy-(4-propan-2-ylphenyl)methylidene]-1-(6-methylpyridazin-3-yl)-5-[4-(trifluoromethoxy)phenyl]pyrrolidine-2,3-dione;(5S)-4-[hydroxy-(4-propan-2-ylphenyl)methylidene]-1-(6-methylpyridazin-3-yl)-5-[4-(trifluoromethoxy)phenyl]pyrrolidine-2,3-dione;(5S)-4-[hydroxy-(4-propan-2-ylphenyl)methylidene]-1-(6-methylpyridazin-3-yl)-5-[4-(trifluoromethyl)phenyl]pyrrolidine-2,3-dione;[1-(6-methylpyridazin-3-yl)-5-oxo-3-(4-propan-2-ylbenzoyl)-2-[4-(trifluoromethoxy)phenyl]-2H-pyrrol-4-yl] 2-methylpropanoate?

The IUPAC name of 5-[6-(1,1-difluoroethyl)-3-pyridinyl]-4-[hydroxy-(4-propan-2-ylphenyl)methylidene]-1-(6-methylpyridazin-3-yl)pyrrolidine-2,3-dione;(5R)-4-[hydroxy-(4-propan-2-ylphenyl)methylidene]-1-(6-methylpyridazin-3-yl)-5-[4-(trifluoromethoxy)phenyl]pyrrolidine-2,3-dione;(5S)-4-[hydroxy-(4-propan-2-ylphenyl)methylidene]-1-(6-methylpyridazin-3-yl)-5-[4-(trifluoromethoxy)phenyl]pyrrolidine-2,3-dione;(5S)-4-[hydroxy-(4-propan-2-ylphenyl)methylidene]-1-(6-methylpyridazin-3-yl)-5-[4-(trifluoromethyl)phenyl]pyrrolidine-2,3-dione;[1-(6-methylpyridazin-3-yl)-5-oxo-3-(4-propan-2-ylbenzoyl)-2-[4-(trifluoromethoxy)phenyl]-2H-pyrrol-4-yl] 2-methylpropanoate (CID 159260742) is 5-[6-(1,1-difluoroethyl)-3-pyridinyl]-4-[hydroxy-(4-propan-2-ylphenyl)methylidene]-1-(6-methylpyridazin-3-yl)pyrrolidine-2,3-dione;(5R)-4-[hydroxy-(4-propan-2-ylphenyl)methylidene]-1-(6-methylpyridazin-3-yl)-5-[4-(trifluoromethoxy)phenyl]pyrrolidine-2,3-dione;(5S)-4-[hydroxy-(4-propan-2-ylphenyl)methylidene]-1-(6-methylpyridazin-3-yl)-5-[4-(trifluoromethoxy)phenyl]pyrrolidine-2,3-dione;(5S)-4-[hydroxy-(4-propan-2-ylphenyl)methylidene]-1-(6-methylpyridazin-3-yl)-5-[4-(trifluoromethyl)phenyl]pyrrolidine-2,3-dione;[1-(6-methylpyridazin-3-yl)-5-oxo-3-(4-propan-2-ylbenzoyl)-2-[4-(trifluoromethoxy)phenyl]-2H-pyrrol-4-yl] 2-methylpropanoate.

What is the SMILES notation for 5-[6-(1,1-difluoroethyl)-3-pyridinyl]-4-[hydroxy-(4-propan-2-ylphenyl)methylidene]-1-(6-methylpyridazin-3-yl)pyrrolidine-2,3-dione;(5R)-4-[hydroxy-(4-propan-2-ylphenyl)methylidene]-1-(6-methylpyridazin-3-yl)-5-[4-(trifluoromethoxy)phenyl]pyrrolidine-2,3-dione;(5S)-4-[hydroxy-(4-propan-2-ylphenyl)methylidene]-1-(6-methylpyridazin-3-yl)-5-[4-(trifluoromethoxy)phenyl]pyrrolidine-2,3-dione;(5S)-4-[hydroxy-(4-propan-2-ylphenyl)methylidene]-1-(6-methylpyridazin-3-yl)-5-[4-(trifluoromethyl)phenyl]pyrrolidine-2,3-dione;[1-(6-methylpyridazin-3-yl)-5-oxo-3-(4-propan-2-ylbenzoyl)-2-[4-(trifluoromethoxy)phenyl]-2H-pyrrol-4-yl] 2-methylpropanoate?

The canonical SMILES for 5-[6-(1,1-difluoroethyl)-3-pyridinyl]-4-[hydroxy-(4-propan-2-ylphenyl)methylidene]-1-(6-methylpyridazin-3-yl)pyrrolidine-2,3-dione;(5R)-4-[hydroxy-(4-propan-2-ylphenyl)methylidene]-1-(6-methylpyridazin-3-yl)-5-[4-(trifluoromethoxy)phenyl]pyrrolidine-2,3-dione;(5S)-4-[hydroxy-(4-propan-2-ylphenyl)methylidene]-1-(6-methylpyridazin-3-yl)-5-[4-(trifluoromethoxy)phenyl]pyrrolidine-2,3-dione;(5S)-4-[hydroxy-(4-propan-2-ylphenyl)methylidene]-1-(6-methylpyridazin-3-yl)-5-[4-(trifluoromethyl)phenyl]pyrrolidine-2,3-dione;[1-(6-methylpyridazin-3-yl)-5-oxo-3-(4-propan-2-ylbenzoyl)-2-[4-(trifluoromethoxy)phenyl]-2H-pyrrol-4-yl] 2-methylpropanoate is Cc1ccc(N2C(=O)C(=O)C(=C(O)c3ccc(C(C)C)cc3)C2c2ccc(C(C)(F)F)nc2)nn1.Cc1ccc(N2C(=O)C(=O)C(=C(O)c3ccc(C(C)C)cc3)[C@@H]2c2ccc(C(F)(F)F)cc2)nn1.Cc1ccc(N2C(=O)C(=O)C(=C(O)c3ccc(C(C)C)cc3)[C@@H]2c2ccc(OC(F)(F)F)cc2)nn1.Cc1ccc(N2C(=O)C(=O)C(=C(O)c3ccc(C(C)C)cc3)[C@H]2c2ccc(OC(F)(F)F)cc2)nn1.Cc1ccc(N2C(=O)C(OC(=O)C(C)C)=C(C(=O)c3ccc(C(C)C)cc3)C2c2ccc(OC(F)(F)F)cc2)nn1.

What is the InChIKey of 5-[6-(1,1-difluoroethyl)-3-pyridinyl]-4-[hydroxy-(4-propan-2-ylphenyl)methylidene]-1-(6-methylpyridazin-3-yl)pyrrolidine-2,3-dione;(5R)-4-[hydroxy-(4-propan-2-ylphenyl)methylidene]-1-(6-methylpyridazin-3-yl)-5-[4-(trifluoromethoxy)phenyl]pyrrolidine-2,3-dione;(5S)-4-[hydroxy-(4-propan-2-ylphenyl)methylidene]-1-(6-methylpyridazin-3-yl)-5-[4-(trifluoromethoxy)phenyl]pyrrolidine-2,3-dione;(5S)-4-[hydroxy-(4-propan-2-ylphenyl)methylidene]-1-(6-methylpyridazin-3-yl)-5-[4-(trifluoromethyl)phenyl]pyrrolidine-2,3-dione;[1-(6-methylpyridazin-3-yl)-5-oxo-3-(4-propan-2-ylbenzoyl)-2-[4-(trifluoromethoxy)phenyl]-2H-pyrrol-4-yl] 2-methylpropanoate?

The InChIKey is UZGCRFYZOZHHLA-JGJIQLFOSA-N. The full InChI is InChI=1S/C30H28F3N3O5.2C26H22F3N3O4.C26H22F3N3O3.C26H24F2N4O3/c1-16(2)19-7-9-21(10-8-19)26(37)24-25(20-11-13-22(14-12-20)41-30(31,32)33)36(23-15-6-18(5)34-35-23)28(38)27(24)40-29(39)17(3)4;2*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(2)16-5-7-18(8-6-16)23(33)21-22(17-9-11-19(12-10-17)26(27,28)29)32(25(35)24(21)34)20-13-4-15(3)30-31-20;1-14(2)16-6-8-17(9-7-16)23(33)21-22(18-10-11-19(29-13-18)26(4,27)28)32(25(35)24(21)34)20-12-5-15(3)30-31-20/h6-17,25H,1-5H3;2*4-14,22,33H,1-3H3;4-14,22,33H,1-3H3;5-14,22,33H,1-4H3/t;3*22-;/m.100./s1.

What are the key properties of 5-[6-(1,1-difluoroethyl)-3-pyridinyl]-4-[hydroxy-(4-propan-2-ylphenyl)methylidene]-1-(6-methylpyridazin-3-yl)pyrrolidine-2,3-dione;(5R)-4-[hydroxy-(4-propan-2-ylphenyl)methylidene]-1-(6-methylpyridazin-3-yl)-5-[4-(trifluoromethoxy)phenyl]pyrrolidine-2,3-dione;(5S)-4-[hydroxy-(4-propan-2-ylphenyl)methylidene]-1-(6-methylpyridazin-3-yl)-5-[4-(trifluoromethoxy)phenyl]pyrrolidine-2,3-dione;(5S)-4-[hydroxy-(4-propan-2-ylphenyl)methylidene]-1-(6-methylpyridazin-3-yl)-5-[4-(trifluoromethyl)phenyl]pyrrolidine-2,3-dione;[1-(6-methylpyridazin-3-yl)-5-oxo-3-(4-propan-2-ylbenzoyl)-2-[4-(trifluoromethoxy)phenyl]-2H-pyrrol-4-yl] 2-methylpropanoate?

5-[6-(1,1-difluoroethyl)-3-pyridinyl]-4-[hydroxy-(4-propan-2-ylphenyl)methylidene]-1-(6-methylpyridazin-3-yl)pyrrolidine-2,3-dione;(5R)-4-[hydroxy-(4-propan-2-ylphenyl)methylidene]-1-(6-methylpyridazin-3-yl)-5-[4-(trifluoromethoxy)phenyl]pyrrolidine-2,3-dione;(5S)-4-[hydroxy-(4-propan-2-ylphenyl)methylidene]-1-(6-methylpyridazin-3-yl)-5-[4-(trifluoromethoxy)phenyl]pyrrolidine-2,3-dione;(5S)-4-[hydroxy-(4-propan-2-ylphenyl)methylidene]-1-(6-methylpyridazin-3-yl)-5-[4-(trifluoromethyl)phenyl]pyrrolidine-2,3-dione;[1-(6-methylpyridazin-3-yl)-5-oxo-3-(4-propan-2-ylbenzoyl)-2-[4-(trifluoromethoxy)phenyl]-2H-pyrrol-4-yl] 2-methylpropanoate has a molecular weight of 2522.48 g/mol, XLogP of 27.69, 27 rotatable bonds, 4 hydrogen bond donors, and 30 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[6-(1,1-difluoroethyl)-3-pyridinyl]-4-[hydroxy-(4-propan-2-ylphenyl)methylidene]-1-(6-methylpyridazin-3-yl)pyrrolidine-2,3-dione;(5R)-4-[hydroxy-(4-propan-2-ylphenyl)methylidene]-1-(6-methylpyridazin-3-yl)-5-[4-(trifluoromethoxy)phenyl]pyrrolidine-2,3-dione;(5S)-4-[hydroxy-(4-propan-2-ylphenyl)methylidene]-1-(6-methylpyridazin-3-yl)-5-[4-(trifluoromethoxy)phenyl]pyrrolidine-2,3-dione;(5S)-4-[hydroxy-(4-propan-2-ylphenyl)methylidene]-1-(6-methylpyridazin-3-yl)-5-[4-(trifluoromethyl)phenyl]pyrrolidine-2,3-dione;[1-(6-methylpyridazin-3-yl)-5-oxo-3-(4-propan-2-ylbenzoyl)-2-[4-(trifluoromethoxy)phenyl]-2H-pyrrol-4-yl] 2-methylpropanoate is sourced from PubChem (CID 159260742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 159260742 — identifiers, structure, computed properties (public domain)

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