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-(trifluoromethoxy)phenyl]methylidene]-1-(6-methylpyridazin-3-yl)-5-[4-(tetrazol-2-ylmethyl)phenyl]pyrrolidine-2,3-dione;4-[hydroxy-[4-(trifluoromethoxy)phenyl]methylidene]-1-(6-methylpyridazin-3-yl)-5-[4-(triazol-1-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

C105H87F9N24O16S — CID 158095428

About 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-(trifluoromethoxy)phenyl]methylidene]-1-(6-methylpyridazin-3-yl)-5-[4-(tetrazol-2-ylmethyl)phenyl]pyrrolidine-2,3-dione;4-[hydroxy-[4-(trifluoromethoxy)phenyl]methylidene]-1-(6-methylpyridazin-3-yl)-5-[4-(triazol-1-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]-1-(6-methylpyridazin-3-yl)-5-[4-(tetrazol-2-ylmethyl)phenyl]pyrrolidine-2,3-dione;4-[hydroxy-[4-(trifluoromethoxy)phenyl]methylidene]-1-(6-methylpyridazin-3-yl)-5-[4-(tetrazol-2-ylmethyl)phenyl]pyrrolidine-2,3-dione;4-[hydroxy-[4-(trifluoromethoxy)phenyl]methylidene]-1-(6-methylpyridazin-3-yl)-5-[4-(triazol-1-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 158095428) has the molecular formula C105H87F9N24O16S and a molecular weight of 2144.05 g/mol. Its IUPAC name is 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-(trifluoromethoxy)phenyl]methylidene]-1-(6-methylpyridazin-3-yl)-5-[4-(tetrazol-2-ylmethyl)phenyl]pyrrolidine-2,3-dione;4-[hydroxy-[4-(trifluoromethoxy)phenyl]methylidene]-1-(6-methylpyridazin-3-yl)-5-[4-(triazol-1-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]-1-(6-methylpyridazin-3-yl)-5-[4-(tetrazol-2-ylmethyl)phenyl]pyrrolidine-2,3-dione;4-[hydroxy-[4-(trifluoromethoxy)phenyl]methylidene]-1-(6-methylpyridazin-3-yl)-5-[4-(tetrazol-2-ylmethyl)phenyl]pyrrolidine-2,3-dione;4-[hydroxy-[4-(trifluoromethoxy)phenyl]methylidene]-1-(6-methylpyridazin-3-yl)-5-[4-(triazol-1-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: 158095428
• Molecular Formula: C105H87F9N24O16S
• Molecular Weight: 2144.05 g/mol
• Exact Mass: 2142.63
• IUPAC Name: 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-(trifluoromethoxy)phenyl]methylidene]-1-(6-methylpyridazin-3-yl)-5-[4-(tetrazol-2-ylmethyl)phenyl]pyrrolidine-2,3-dione;4-[hydroxy-[4-(trifluoromethoxy)phenyl]methylidene]-1-(6-methylpyridazin-3-yl)-5-[4-(triazol-1-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(Cn3ncnn3)cc2)nn1.Cc1ccc(N2C(=O)C(=O)C(=C(O)c3ccc(OC(F)(F)F)cc3)C2c2ccc(Cn3ccnn3)cc2)nn1.Cc1ccc(N2C(=O)C(=O)C(=C(O)c3ccc(OC(F)(F)F)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/C27H25F3N4O5S.C27H25N7O3.C26H19F3N6O4.C25H18F3N7O4/c1-15(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;1-15-2-11-20(32-31-15)35-22(17-5-3-16(4-6-17)14-34-13-12-30-33-34)21(24(37)25(35)38)23(36)18-7-9-19(10-8-18)39-26(27,28)29;1-14-2-11-19(32-31-14)35-21(16-5-3-15(4-6-16)12-34-30-13-29-33-34)20(23(37)24(35)38)22(36)17-7-9-18(10-8-17)39-25(26,27)28/h5-15,24,33H,1-4H3;4-13,15-16,24,35H,14H2,1-3H3;2-13,22,36H,14H2,1H3;2-11,13,21,36H,12H2,1H3
• InChIKey: RBWZZIHZCVTSAK-UHFFFAOYSA-N
• XLogP: 15.45
• TPSA: 505.10 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 35
• Rotatable Bonds: 26
• Heavy Atoms: 155
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2144.05
LogP ≤ 5	15.45
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	35

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]-1-(6-methylpyridazin-3-yl)-5-[4-(tetrazol-2-ylmethyl)phenyl]pyrrolidine-2,3-dione;4-[hydroxy-[4-(trifluoromethoxy)phenyl]methylidene]-1-(6-methylpyridazin-3-yl)-5-[4-(tetrazol-2-ylmethyl)phenyl]pyrrolidine-2,3-dione;4-[hydroxy-[4-(trifluoromethoxy)phenyl]methylidene]-1-(6-methylpyridazin-3-yl)-5-[4-(triazol-1-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]-1-(6-methylpyridazin-3-yl)-5-[4-(tetrazol-2-ylmethyl)phenyl]pyrrolidine-2,3-dione;4-[hydroxy-[4-(trifluoromethoxy)phenyl]methylidene]-1-(6-methylpyridazin-3-yl)-5-[4-(tetrazol-2-ylmethyl)phenyl]pyrrolidine-2,3-dione;4-[hydroxy-[4-(trifluoromethoxy)phenyl]methylidene]-1-(6-methylpyridazin-3-yl)-5-[4-(triazol-1-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 158095428) is 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-(trifluoromethoxy)phenyl]methylidene]-1-(6-methylpyridazin-3-yl)-5-[4-(tetrazol-2-ylmethyl)phenyl]pyrrolidine-2,3-dione;4-[hydroxy-[4-(trifluoromethoxy)phenyl]methylidene]-1-(6-methylpyridazin-3-yl)-5-[4-(triazol-1-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]-1-(6-methylpyridazin-3-yl)-5-[4-(tetrazol-2-ylmethyl)phenyl]pyrrolidine-2,3-dione;4-[hydroxy-[4-(trifluoromethoxy)phenyl]methylidene]-1-(6-methylpyridazin-3-yl)-5-[4-(tetrazol-2-ylmethyl)phenyl]pyrrolidine-2,3-dione;4-[hydroxy-[4-(trifluoromethoxy)phenyl]methylidene]-1-(6-methylpyridazin-3-yl)-5-[4-(triazol-1-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]-1-(6-methylpyridazin-3-yl)-5-[4-(tetrazol-2-ylmethyl)phenyl]pyrrolidine-2,3-dione;4-[hydroxy-[4-(trifluoromethoxy)phenyl]methylidene]-1-(6-methylpyridazin-3-yl)-5-[4-(tetrazol-2-ylmethyl)phenyl]pyrrolidine-2,3-dione;4-[hydroxy-[4-(trifluoromethoxy)phenyl]methylidene]-1-(6-methylpyridazin-3-yl)-5-[4-(triazol-1-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(Cn3ncnn3)cc2)nn1.Cc1ccc(N2C(=O)C(=O)C(=C(O)c3ccc(OC(F)(F)F)cc3)C2c2ccc(Cn3ccnn3)cc2)nn1.Cc1ccc(N2C(=O)C(=O)C(=C(O)c3ccc(OC(F)(F)F)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]-1-(6-methylpyridazin-3-yl)-5-[4-(tetrazol-2-ylmethyl)phenyl]pyrrolidine-2,3-dione;4-[hydroxy-[4-(trifluoromethoxy)phenyl]methylidene]-1-(6-methylpyridazin-3-yl)-5-[4-(tetrazol-2-ylmethyl)phenyl]pyrrolidine-2,3-dione;4-[hydroxy-[4-(trifluoromethoxy)phenyl]methylidene]-1-(6-methylpyridazin-3-yl)-5-[4-(triazol-1-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 RBWZZIHZCVTSAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25F3N4O5S.C27H25N7O3.C26H19F3N6O4.C25H18F3N7O4/c1-15(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;1-15-2-11-20(32-31-15)35-22(17-5-3-16(4-6-17)14-34-13-12-30-33-34)21(24(37)25(35)38)23(36)18-7-9-19(10-8-18)39-26(27,28)29;1-14-2-11-19(32-31-14)35-21(16-5-3-15(4-6-16)12-34-30-13-29-33-34)20(23(37)24(35)38)22(36)17-7-9-18(10-8-17)39-25(26,27)28/h5-15,24,33H,1-4H3;4-13,15-16,24,35H,14H2,1-3H3;2-13,22,36H,14H2,1H3;2-11,13,21,36H,12H2,1H3.

What are the key properties of 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-(trifluoromethoxy)phenyl]methylidene]-1-(6-methylpyridazin-3-yl)-5-[4-(tetrazol-2-ylmethyl)phenyl]pyrrolidine-2,3-dione;4-[hydroxy-[4-(trifluoromethoxy)phenyl]methylidene]-1-(6-methylpyridazin-3-yl)-5-[4-(triazol-1-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]-1-(6-methylpyridazin-3-yl)-5-[4-(tetrazol-2-ylmethyl)phenyl]pyrrolidine-2,3-dione;4-[hydroxy-[4-(trifluoromethoxy)phenyl]methylidene]-1-(6-methylpyridazin-3-yl)-5-[4-(tetrazol-2-ylmethyl)phenyl]pyrrolidine-2,3-dione;4-[hydroxy-[4-(trifluoromethoxy)phenyl]methylidene]-1-(6-methylpyridazin-3-yl)-5-[4-(triazol-1-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 2144.05 g/mol, XLogP of 15.45, 26 rotatable bonds, 4 hydrogen bond donors, and 35 hydrogen bond acceptors.

Where does this data come from?

All data for 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-(trifluoromethoxy)phenyl]methylidene]-1-(6-methylpyridazin-3-yl)-5-[4-(tetrazol-2-ylmethyl)phenyl]pyrrolidine-2,3-dione;4-[hydroxy-[4-(trifluoromethoxy)phenyl]methylidene]-1-(6-methylpyridazin-3-yl)-5-[4-(triazol-1-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 158095428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).