4-[hydroxy-(4-propan-2-ylphenyl)methylidene]-5-[4-(imidazol-1-ylmethyl)phenyl]-1-(6-methylpyridazin-3-yl)pyrrolidine-2,3-dione;4-[hydroxy-(4-propan-2-ylphenyl)methylidene]-1-(6-methylpyridazin-3-yl)-5-[4-(tetrazol-2-ylmethyl)phenyl]pyrrolidine-2,3-dione;4-[hydroxy-(4-propan-2-ylphenyl)methylidene]-1-(6-methylpyridazin-3-yl)-5-[4-(triazol-1-ylmethyl)phenyl]pyrrolidine-2,3-dione;4-[hydroxy-(4-propan-2-ylphenyl)methylidene]-1-(6-methylpyridazin-3-yl)-5-[4-(triazol-2-ylmethyl)phenyl]pyrrolidine-2,3-dione;N-[1-(6-methylpyridazin-3-yl)-5-oxo-3-(4-propan-2-ylbenzoyl)-2-[4-(trifluoromethoxy)phenyl]-2H-pyrrol-4-yl]methanesulfonamide

C139H129F3N28O17S — CID 159242620

About 4-[hydroxy-(4-propan-2-ylphenyl)methylidene]-5-[4-(imidazol-1-ylmethyl)phenyl]-1-(6-methylpyridazin-3-yl)pyrrolidine-2,3-dione;4-[hydroxy-(4-propan-2-ylphenyl)methylidene]-1-(6-methylpyridazin-3-yl)-5-[4-(tetrazol-2-ylmethyl)phenyl]pyrrolidine-2,3-dione;4-[hydroxy-(4-propan-2-ylphenyl)methylidene]-1-(6-methylpyridazin-3-yl)-5-[4-(triazol-1-ylmethyl)phenyl]pyrrolidine-2,3-dione;4-[hydroxy-(4-propan-2-ylphenyl)methylidene]-1-(6-methylpyridazin-3-yl)-5-[4-(triazol-2-ylmethyl)phenyl]pyrrolidine-2,3-dione;N-[1-(6-methylpyridazin-3-yl)-5-oxo-3-(4-propan-2-ylbenzoyl)-2-[4-(trifluoromethoxy)phenyl]-2H-pyrrol-4-yl]methanesulfonamide

4-[hydroxy-(4-propan-2-ylphenyl)methylidene]-5-[4-(imidazol-1-ylmethyl)phenyl]-1-(6-methylpyridazin-3-yl)pyrrolidine-2,3-dione;4-[hydroxy-(4-propan-2-ylphenyl)methylidene]-1-(6-methylpyridazin-3-yl)-5-[4-(tetrazol-2-ylmethyl)phenyl]pyrrolidine-2,3-dione;4-[hydroxy-(4-propan-2-ylphenyl)methylidene]-1-(6-methylpyridazin-3-yl)-5-[4-(triazol-1-ylmethyl)phenyl]pyrrolidine-2,3-dione;4-[hydroxy-(4-propan-2-ylphenyl)methylidene]-1-(6-methylpyridazin-3-yl)-5-[4-(triazol-2-ylmethyl)phenyl]pyrrolidine-2,3-dione;N-[1-(6-methylpyridazin-3-yl)-5-oxo-3-(4-propan-2-ylbenzoyl)-2-[4-(trifluoromethoxy)phenyl]-2H-pyrrol-4-yl]methanesulfonamide (PubChem CID 159242620) has the molecular formula C139H129F3N28O17S and a molecular weight of 2552.80 g/mol. Its IUPAC name is 4-[hydroxy-(4-propan-2-ylphenyl)methylidene]-5-[4-(imidazol-1-ylmethyl)phenyl]-1-(6-methylpyridazin-3-yl)pyrrolidine-2,3-dione;4-[hydroxy-(4-propan-2-ylphenyl)methylidene]-1-(6-methylpyridazin-3-yl)-5-[4-(tetrazol-2-ylmethyl)phenyl]pyrrolidine-2,3-dione;4-[hydroxy-(4-propan-2-ylphenyl)methylidene]-1-(6-methylpyridazin-3-yl)-5-[4-(triazol-1-ylmethyl)phenyl]pyrrolidine-2,3-dione;4-[hydroxy-(4-propan-2-ylphenyl)methylidene]-1-(6-methylpyridazin-3-yl)-5-[4-(triazol-2-ylmethyl)phenyl]pyrrolidine-2,3-dione;N-[1-(6-methylpyridazin-3-yl)-5-oxo-3-(4-propan-2-ylbenzoyl)-2-[4-(trifluoromethoxy)phenyl]-2H-pyrrol-4-yl]methanesulfonamide.

Molecular Properties

• Compound Name: 4-[hydroxy-(4-propan-2-ylphenyl)methylidene]-5-[4-(imidazol-1-ylmethyl)phenyl]-1-(6-methylpyridazin-3-yl)pyrrolidine-2,3-dione;4-[hydroxy-(4-propan-2-ylphenyl)methylidene]-1-(6-methylpyridazin-3-yl)-5-[4-(tetrazol-2-ylmethyl)phenyl]pyrrolidine-2,3-dione;4-[hydroxy-(4-propan-2-ylphenyl)methylidene]-1-(6-methylpyridazin-3-yl)-5-[4-(triazol-1-ylmethyl)phenyl]pyrrolidine-2,3-dione;4-[hydroxy-(4-propan-2-ylphenyl)methylidene]-1-(6-methylpyridazin-3-yl)-5-[4-(triazol-2-ylmethyl)phenyl]pyrrolidine-2,3-dione;N-[1-(6-methylpyridazin-3-yl)-5-oxo-3-(4-propan-2-ylbenzoyl)-2-[4-(trifluoromethoxy)phenyl]-2H-pyrrol-4-yl]methanesulfonamide
• PubChem CID: 159242620
• Molecular Formula: C139H129F3N28O17S
• Molecular Weight: 2552.80 g/mol
• Exact Mass: 2550.98
• IUPAC Name: 4-[hydroxy-(4-propan-2-ylphenyl)methylidene]-5-[4-(imidazol-1-ylmethyl)phenyl]-1-(6-methylpyridazin-3-yl)pyrrolidine-2,3-dione;4-[hydroxy-(4-propan-2-ylphenyl)methylidene]-1-(6-methylpyridazin-3-yl)-5-[4-(tetrazol-2-ylmethyl)phenyl]pyrrolidine-2,3-dione;4-[hydroxy-(4-propan-2-ylphenyl)methylidene]-1-(6-methylpyridazin-3-yl)-5-[4-(triazol-1-ylmethyl)phenyl]pyrrolidine-2,3-dione;4-[hydroxy-(4-propan-2-ylphenyl)methylidene]-1-(6-methylpyridazin-3-yl)-5-[4-(triazol-2-ylmethyl)phenyl]pyrrolidine-2,3-dione;N-[1-(6-methylpyridazin-3-yl)-5-oxo-3-(4-propan-2-ylbenzoyl)-2-[4-(trifluoromethoxy)phenyl]-2H-pyrrol-4-yl]methanesulfonamide
• SMILES: Cc1ccc(N2C(=O)C(=O)C(=C(O)c3ccc(C(C)C)cc3)C2c2ccc(Cn3ccnc3)cc2)nn1.Cc1ccc(N2C(=O)C(=O)C(=C(O)c3ccc(C(C)C)cc3)C2c2ccc(Cn3ccnn3)cc2)nn1.Cc1ccc(N2C(=O)C(=O)C(=C(O)c3ccc(C(C)C)cc3)C2c2ccc(Cn3nccn3)cc2)nn1.Cc1ccc(N2C(=O)C(=O)C(=C(O)c3ccc(C(C)C)cc3)C2c2ccc(Cn3ncnn3)cc2)nn1.Cc1ccc(N2C(=O)C(NS(C)(=O)=O)=C(C(=O)c3ccc(C(C)C)cc3)C2c2ccc(OC(F)(F)F)cc2)nn1
• InChI: InChI=1S/C29H27N5O3.2C28H26N6O3.C27H25F3N4O5S.C27H25N7O3/c1-18(2)21-9-11-23(12-10-21)27(35)25-26(22-7-5-20(6-8-22)16-33-15-14-30-17-33)34(29(37)28(25)36)24-13-4-19(3)31-32-24;1-17(2)20-9-11-22(12-10-20)26(35)24-25(21-7-5-19(6-8-21)16-33-15-14-29-32-33)34(28(37)27(24)36)23-13-4-18(3)30-31-23;1-17(2)20-9-11-22(12-10-20)26(35)24-25(21-7-5-19(6-8-21)16-33-29-14-15-30-33)34(28(37)27(24)36)23-13-4-18(3)31-32-23;1-15(2)17-6-8-19(9-7-17)25(35)22-23(33-40(4,37)38)26(36)34(21-14-5-16(3)31-32-21)24(22)18-10-12-20(13-11-18)39-27(28,29)30;1-16(2)19-9-11-21(12-10-19)25(35)23-24(20-7-5-18(6-8-20)14-33-29-15-28-32-33)34(27(37)26(23)36)22-13-4-17(3)30-31-22/h4-15,17-18,26,35H,16H2,1-3H3;2*4-15,17,25,35H,16H2,1-3H3;5-15,24,33H,1-4H3;4-13,15-16,24,35H,14H2,1-3H3
• InChIKey: OADIJAGOMOTOQY-UHFFFAOYSA-N
• XLogP: 21.28
• TPSA: 574.96 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 39
• Rotatable Bonds: 32
• Heavy Atoms: 188
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2552.80
LogP ≤ 5	21.28
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	39

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-(imidazol-1-ylmethyl)phenyl]-1-(6-methylpyridazin-3-yl)pyrrolidine-2,3-dione;4-[hydroxy-(4-propan-2-ylphenyl)methylidene]-1-(6-methylpyridazin-3-yl)-5-[4-(tetrazol-2-ylmethyl)phenyl]pyrrolidine-2,3-dione;4-[hydroxy-(4-propan-2-ylphenyl)methylidene]-1-(6-methylpyridazin-3-yl)-5-[4-(triazol-1-ylmethyl)phenyl]pyrrolidine-2,3-dione;4-[hydroxy-(4-propan-2-ylphenyl)methylidene]-1-(6-methylpyridazin-3-yl)-5-[4-(triazol-2-ylmethyl)phenyl]pyrrolidine-2,3-dione;N-[1-(6-methylpyridazin-3-yl)-5-oxo-3-(4-propan-2-ylbenzoyl)-2-[4-(trifluoromethoxy)phenyl]-2H-pyrrol-4-yl]methanesulfonamide?

The IUPAC name of 4-[hydroxy-(4-propan-2-ylphenyl)methylidene]-5-[4-(imidazol-1-ylmethyl)phenyl]-1-(6-methylpyridazin-3-yl)pyrrolidine-2,3-dione;4-[hydroxy-(4-propan-2-ylphenyl)methylidene]-1-(6-methylpyridazin-3-yl)-5-[4-(tetrazol-2-ylmethyl)phenyl]pyrrolidine-2,3-dione;4-[hydroxy-(4-propan-2-ylphenyl)methylidene]-1-(6-methylpyridazin-3-yl)-5-[4-(triazol-1-ylmethyl)phenyl]pyrrolidine-2,3-dione;4-[hydroxy-(4-propan-2-ylphenyl)methylidene]-1-(6-methylpyridazin-3-yl)-5-[4-(triazol-2-ylmethyl)phenyl]pyrrolidine-2,3-dione;N-[1-(6-methylpyridazin-3-yl)-5-oxo-3-(4-propan-2-ylbenzoyl)-2-[4-(trifluoromethoxy)phenyl]-2H-pyrrol-4-yl]methanesulfonamide (CID 159242620) is 4-[hydroxy-(4-propan-2-ylphenyl)methylidene]-5-[4-(imidazol-1-ylmethyl)phenyl]-1-(6-methylpyridazin-3-yl)pyrrolidine-2,3-dione;4-[hydroxy-(4-propan-2-ylphenyl)methylidene]-1-(6-methylpyridazin-3-yl)-5-[4-(tetrazol-2-ylmethyl)phenyl]pyrrolidine-2,3-dione;4-[hydroxy-(4-propan-2-ylphenyl)methylidene]-1-(6-methylpyridazin-3-yl)-5-[4-(triazol-1-ylmethyl)phenyl]pyrrolidine-2,3-dione;4-[hydroxy-(4-propan-2-ylphenyl)methylidene]-1-(6-methylpyridazin-3-yl)-5-[4-(triazol-2-ylmethyl)phenyl]pyrrolidine-2,3-dione;N-[1-(6-methylpyridazin-3-yl)-5-oxo-3-(4-propan-2-ylbenzoyl)-2-[4-(trifluoromethoxy)phenyl]-2H-pyrrol-4-yl]methanesulfonamide.

What is the SMILES notation for 4-[hydroxy-(4-propan-2-ylphenyl)methylidene]-5-[4-(imidazol-1-ylmethyl)phenyl]-1-(6-methylpyridazin-3-yl)pyrrolidine-2,3-dione;4-[hydroxy-(4-propan-2-ylphenyl)methylidene]-1-(6-methylpyridazin-3-yl)-5-[4-(tetrazol-2-ylmethyl)phenyl]pyrrolidine-2,3-dione;4-[hydroxy-(4-propan-2-ylphenyl)methylidene]-1-(6-methylpyridazin-3-yl)-5-[4-(triazol-1-ylmethyl)phenyl]pyrrolidine-2,3-dione;4-[hydroxy-(4-propan-2-ylphenyl)methylidene]-1-(6-methylpyridazin-3-yl)-5-[4-(triazol-2-ylmethyl)phenyl]pyrrolidine-2,3-dione;N-[1-(6-methylpyridazin-3-yl)-5-oxo-3-(4-propan-2-ylbenzoyl)-2-[4-(trifluoromethoxy)phenyl]-2H-pyrrol-4-yl]methanesulfonamide?

The canonical SMILES for 4-[hydroxy-(4-propan-2-ylphenyl)methylidene]-5-[4-(imidazol-1-ylmethyl)phenyl]-1-(6-methylpyridazin-3-yl)pyrrolidine-2,3-dione;4-[hydroxy-(4-propan-2-ylphenyl)methylidene]-1-(6-methylpyridazin-3-yl)-5-[4-(tetrazol-2-ylmethyl)phenyl]pyrrolidine-2,3-dione;4-[hydroxy-(4-propan-2-ylphenyl)methylidene]-1-(6-methylpyridazin-3-yl)-5-[4-(triazol-1-ylmethyl)phenyl]pyrrolidine-2,3-dione;4-[hydroxy-(4-propan-2-ylphenyl)methylidene]-1-(6-methylpyridazin-3-yl)-5-[4-(triazol-2-ylmethyl)phenyl]pyrrolidine-2,3-dione;N-[1-(6-methylpyridazin-3-yl)-5-oxo-3-(4-propan-2-ylbenzoyl)-2-[4-(trifluoromethoxy)phenyl]-2H-pyrrol-4-yl]methanesulfonamide is Cc1ccc(N2C(=O)C(=O)C(=C(O)c3ccc(C(C)C)cc3)C2c2ccc(Cn3ccnc3)cc2)nn1.Cc1ccc(N2C(=O)C(=O)C(=C(O)c3ccc(C(C)C)cc3)C2c2ccc(Cn3ccnn3)cc2)nn1.Cc1ccc(N2C(=O)C(=O)C(=C(O)c3ccc(C(C)C)cc3)C2c2ccc(Cn3nccn3)cc2)nn1.Cc1ccc(N2C(=O)C(=O)C(=C(O)c3ccc(C(C)C)cc3)C2c2ccc(Cn3ncnn3)cc2)nn1.Cc1ccc(N2C(=O)C(NS(C)(=O)=O)=C(C(=O)c3ccc(C(C)C)cc3)C2c2ccc(OC(F)(F)F)cc2)nn1.

What is the InChIKey of 4-[hydroxy-(4-propan-2-ylphenyl)methylidene]-5-[4-(imidazol-1-ylmethyl)phenyl]-1-(6-methylpyridazin-3-yl)pyrrolidine-2,3-dione;4-[hydroxy-(4-propan-2-ylphenyl)methylidene]-1-(6-methylpyridazin-3-yl)-5-[4-(tetrazol-2-ylmethyl)phenyl]pyrrolidine-2,3-dione;4-[hydroxy-(4-propan-2-ylphenyl)methylidene]-1-(6-methylpyridazin-3-yl)-5-[4-(triazol-1-ylmethyl)phenyl]pyrrolidine-2,3-dione;4-[hydroxy-(4-propan-2-ylphenyl)methylidene]-1-(6-methylpyridazin-3-yl)-5-[4-(triazol-2-ylmethyl)phenyl]pyrrolidine-2,3-dione;N-[1-(6-methylpyridazin-3-yl)-5-oxo-3-(4-propan-2-ylbenzoyl)-2-[4-(trifluoromethoxy)phenyl]-2H-pyrrol-4-yl]methanesulfonamide?

The InChIKey is OADIJAGOMOTOQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H27N5O3.2C28H26N6O3.C27H25F3N4O5S.C27H25N7O3/c1-18(2)21-9-11-23(12-10-21)27(35)25-26(22-7-5-20(6-8-22)16-33-15-14-30-17-33)34(29(37)28(25)36)24-13-4-19(3)31-32-24;1-17(2)20-9-11-22(12-10-20)26(35)24-25(21-7-5-19(6-8-21)16-33-15-14-29-32-33)34(28(37)27(24)36)23-13-4-18(3)30-31-23;1-17(2)20-9-11-22(12-10-20)26(35)24-25(21-7-5-19(6-8-21)16-33-29-14-15-30-33)34(28(37)27(24)36)23-13-4-18(3)31-32-23;1-15(2)17-6-8-19(9-7-17)25(35)22-23(33-40(4,37)38)26(36)34(21-14-5-16(3)31-32-21)24(22)18-10-12-20(13-11-18)39-27(28,29)30;1-16(2)19-9-11-21(12-10-19)25(35)23-24(20-7-5-18(6-8-20)14-33-29-15-28-32-33)34(27(37)26(23)36)22-13-4-17(3)30-31-22/h4-15,17-18,26,35H,16H2,1-3H3;2*4-15,17,25,35H,16H2,1-3H3;5-15,24,33H,1-4H3;4-13,15-16,24,35H,14H2,1-3H3.

What are the key properties of 4-[hydroxy-(4-propan-2-ylphenyl)methylidene]-5-[4-(imidazol-1-ylmethyl)phenyl]-1-(6-methylpyridazin-3-yl)pyrrolidine-2,3-dione;4-[hydroxy-(4-propan-2-ylphenyl)methylidene]-1-(6-methylpyridazin-3-yl)-5-[4-(tetrazol-2-ylmethyl)phenyl]pyrrolidine-2,3-dione;4-[hydroxy-(4-propan-2-ylphenyl)methylidene]-1-(6-methylpyridazin-3-yl)-5-[4-(triazol-1-ylmethyl)phenyl]pyrrolidine-2,3-dione;4-[hydroxy-(4-propan-2-ylphenyl)methylidene]-1-(6-methylpyridazin-3-yl)-5-[4-(triazol-2-ylmethyl)phenyl]pyrrolidine-2,3-dione;N-[1-(6-methylpyridazin-3-yl)-5-oxo-3-(4-propan-2-ylbenzoyl)-2-[4-(trifluoromethoxy)phenyl]-2H-pyrrol-4-yl]methanesulfonamide?

4-[hydroxy-(4-propan-2-ylphenyl)methylidene]-5-[4-(imidazol-1-ylmethyl)phenyl]-1-(6-methylpyridazin-3-yl)pyrrolidine-2,3-dione;4-[hydroxy-(4-propan-2-ylphenyl)methylidene]-1-(6-methylpyridazin-3-yl)-5-[4-(tetrazol-2-ylmethyl)phenyl]pyrrolidine-2,3-dione;4-[hydroxy-(4-propan-2-ylphenyl)methylidene]-1-(6-methylpyridazin-3-yl)-5-[4-(triazol-1-ylmethyl)phenyl]pyrrolidine-2,3-dione;4-[hydroxy-(4-propan-2-ylphenyl)methylidene]-1-(6-methylpyridazin-3-yl)-5-[4-(triazol-2-ylmethyl)phenyl]pyrrolidine-2,3-dione;N-[1-(6-methylpyridazin-3-yl)-5-oxo-3-(4-propan-2-ylbenzoyl)-2-[4-(trifluoromethoxy)phenyl]-2H-pyrrol-4-yl]methanesulfonamide has a molecular weight of 2552.80 g/mol, XLogP of 21.28, 32 rotatable bonds, 5 hydrogen bond donors, and 39 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[hydroxy-(4-propan-2-ylphenyl)methylidene]-5-[4-(imidazol-1-ylmethyl)phenyl]-1-(6-methylpyridazin-3-yl)pyrrolidine-2,3-dione;4-[hydroxy-(4-propan-2-ylphenyl)methylidene]-1-(6-methylpyridazin-3-yl)-5-[4-(tetrazol-2-ylmethyl)phenyl]pyrrolidine-2,3-dione;4-[hydroxy-(4-propan-2-ylphenyl)methylidene]-1-(6-methylpyridazin-3-yl)-5-[4-(triazol-1-ylmethyl)phenyl]pyrrolidine-2,3-dione;4-[hydroxy-(4-propan-2-ylphenyl)methylidene]-1-(6-methylpyridazin-3-yl)-5-[4-(triazol-2-ylmethyl)phenyl]pyrrolidine-2,3-dione;N-[1-(6-methylpyridazin-3-yl)-5-oxo-3-(4-propan-2-ylbenzoyl)-2-[4-(trifluoromethoxy)phenyl]-2H-pyrrol-4-yl]methanesulfonamide is sourced from PubChem (CID 159242620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).