4-chloro-1-(6-methylpyridazin-3-yl)-3-(4-propan-2-ylbenzoyl)-2-[4-(trifluoromethoxy)phenyl]-2H-pyrrol-5-one;5-(4-ethynylphenyl)-4-[hydroxy-(4-propan-2-ylphenyl)methylidene]-1-(6-methylpyridazin-3-yl)pyrrolidine-2,3-dione;5-(4-hydroxyphenyl)-4-[hydroxy-(4-propan-2-ylphenyl)methylidene]-1-(6-methylpyridazin-3-yl)pyrrolidine-2,3-dione;4-[hydroxy-(4-propan-2-ylphenyl)methylidene]-5-[4-(2-methylpropyl)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-1-ylmethyl)phenyl]pyrrolidine-2,3-dione

C134H123ClF3N19O16 — CID 159295728

About 4-chloro-1-(6-methylpyridazin-3-yl)-3-(4-propan-2-ylbenzoyl)-2-[4-(trifluoromethoxy)phenyl]-2H-pyrrol-5-one;5-(4-ethynylphenyl)-4-[hydroxy-(4-propan-2-ylphenyl)methylidene]-1-(6-methylpyridazin-3-yl)pyrrolidine-2,3-dione;5-(4-hydroxyphenyl)-4-[hydroxy-(4-propan-2-ylphenyl)methylidene]-1-(6-methylpyridazin-3-yl)pyrrolidine-2,3-dione;4-[hydroxy-(4-propan-2-ylphenyl)methylidene]-5-[4-(2-methylpropyl)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-1-ylmethyl)phenyl]pyrrolidine-2,3-dione

4-chloro-1-(6-methylpyridazin-3-yl)-3-(4-propan-2-ylbenzoyl)-2-[4-(trifluoromethoxy)phenyl]-2H-pyrrol-5-one;5-(4-ethynylphenyl)-4-[hydroxy-(4-propan-2-ylphenyl)methylidene]-1-(6-methylpyridazin-3-yl)pyrrolidine-2,3-dione;5-(4-hydroxyphenyl)-4-[hydroxy-(4-propan-2-ylphenyl)methylidene]-1-(6-methylpyridazin-3-yl)pyrrolidine-2,3-dione;4-[hydroxy-(4-propan-2-ylphenyl)methylidene]-5-[4-(2-methylpropyl)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-1-ylmethyl)phenyl]pyrrolidine-2,3-dione (PubChem CID 159295728) has the molecular formula C134H123ClF3N19O16 and a molecular weight of 2348.02 g/mol. Its IUPAC name is 4-chloro-1-(6-methylpyridazin-3-yl)-3-(4-propan-2-ylbenzoyl)-2-[4-(trifluoromethoxy)phenyl]-2H-pyrrol-5-one;5-(4-ethynylphenyl)-4-[hydroxy-(4-propan-2-ylphenyl)methylidene]-1-(6-methylpyridazin-3-yl)pyrrolidine-2,3-dione;5-(4-hydroxyphenyl)-4-[hydroxy-(4-propan-2-ylphenyl)methylidene]-1-(6-methylpyridazin-3-yl)pyrrolidine-2,3-dione;4-[hydroxy-(4-propan-2-ylphenyl)methylidene]-5-[4-(2-methylpropyl)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-1-ylmethyl)phenyl]pyrrolidine-2,3-dione.

Molecular Properties

• Compound Name: 4-chloro-1-(6-methylpyridazin-3-yl)-3-(4-propan-2-ylbenzoyl)-2-[4-(trifluoromethoxy)phenyl]-2H-pyrrol-5-one;5-(4-ethynylphenyl)-4-[hydroxy-(4-propan-2-ylphenyl)methylidene]-1-(6-methylpyridazin-3-yl)pyrrolidine-2,3-dione;5-(4-hydroxyphenyl)-4-[hydroxy-(4-propan-2-ylphenyl)methylidene]-1-(6-methylpyridazin-3-yl)pyrrolidine-2,3-dione;4-[hydroxy-(4-propan-2-ylphenyl)methylidene]-5-[4-(2-methylpropyl)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-1-ylmethyl)phenyl]pyrrolidine-2,3-dione
• PubChem CID: 159295728
• Molecular Formula: C134H123ClF3N19O16
• Molecular Weight: 2348.02 g/mol
• Exact Mass: 2345.90
• IUPAC Name: 4-chloro-1-(6-methylpyridazin-3-yl)-3-(4-propan-2-ylbenzoyl)-2-[4-(trifluoromethoxy)phenyl]-2H-pyrrol-5-one;5-(4-ethynylphenyl)-4-[hydroxy-(4-propan-2-ylphenyl)methylidene]-1-(6-methylpyridazin-3-yl)pyrrolidine-2,3-dione;5-(4-hydroxyphenyl)-4-[hydroxy-(4-propan-2-ylphenyl)methylidene]-1-(6-methylpyridazin-3-yl)pyrrolidine-2,3-dione;4-[hydroxy-(4-propan-2-ylphenyl)methylidene]-5-[4-(2-methylpropyl)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-1-ylmethyl)phenyl]pyrrolidine-2,3-dione
• SMILES: C#Cc1ccc(C2C(=C(O)c3ccc(C(C)C)cc3)C(=O)C(=O)N2c2ccc(C)nn2)cc1.Cc1ccc(N2C(=O)C(=O)C(=C(O)c3ccc(C(C)C)cc3)C2c2ccc(CC(C)C)cc2)nn1.Cc1ccc(N2C(=O)C(=O)C(=C(O)c3ccc(C(C)C)cc3)C2c2ccc(Cn3cnnn3)cc2)nn1.Cc1ccc(N2C(=O)C(=O)C(=C(O)c3ccc(C(C)C)cc3)C2c2ccc(O)cc2)nn1.Cc1ccc(N2C(=O)C(Cl)=C(C(=O)c3ccc(C(C)C)cc3)C2c2ccc(OC(F)(F)F)cc2)nn1
• InChI: InChI=1S/C29H31N3O3.C27H25N7O3.C27H23N3O3.C26H21ClF3N3O3.C25H23N3O4/c1-17(2)16-20-7-9-22(10-8-20)26-25(27(33)23-13-11-21(12-14-23)18(3)4)28(34)29(35)32(26)24-15-6-19(5)30-31-24;1-16(2)19-9-11-21(12-10-19)25(35)23-24(20-7-5-18(6-8-20)14-33-15-28-31-32-33)34(27(37)26(23)36)22-13-4-17(3)29-30-22;1-5-18-7-9-20(10-8-18)24-23(25(31)21-13-11-19(12-14-21)16(2)3)26(32)27(33)30(24)22-15-6-17(4)28-29-22;1-14(2)16-5-7-18(8-6-16)24(34)21-22(27)25(35)33(20-13-4-15(3)31-32-20)23(21)17-9-11-19(12-10-17)36-26(28,29)30;1-14(2)16-5-7-18(8-6-16)23(30)21-22(17-9-11-19(29)12-10-17)28(25(32)24(21)31)20-13-4-15(3)26-27-20/h6-15,17-18,26,33H,16H2,1-5H3;4-13,15-16,24,35H,14H2,1-3H3;1,6-16,24,31H,2-4H3;4-14,23H,1-3H3;4-14,22,29-30H,1-3H3
• InChIKey: ZZYWVLYCMQOHLG-UHFFFAOYSA-N
• XLogP: 24.33
• TPSA: 469.78 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 30
• Rotatable Bonds: 26
• Heavy Atoms: 173
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2348.02
LogP ≤ 5	24.33
H-Bond Donors ≤ 5	5
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'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-chloro-1-(6-methylpyridazin-3-yl)-3-(4-propan-2-ylbenzoyl)-2-[4-(trifluoromethoxy)phenyl]-2H-pyrrol-5-one;5-(4-ethynylphenyl)-4-[hydroxy-(4-propan-2-ylphenyl)methylidene]-1-(6-methylpyridazin-3-yl)pyrrolidine-2,3-dione;5-(4-hydroxyphenyl)-4-[hydroxy-(4-propan-2-ylphenyl)methylidene]-1-(6-methylpyridazin-3-yl)pyrrolidine-2,3-dione;4-[hydroxy-(4-propan-2-ylphenyl)methylidene]-5-[4-(2-methylpropyl)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-1-ylmethyl)phenyl]pyrrolidine-2,3-dione?

The IUPAC name of 4-chloro-1-(6-methylpyridazin-3-yl)-3-(4-propan-2-ylbenzoyl)-2-[4-(trifluoromethoxy)phenyl]-2H-pyrrol-5-one;5-(4-ethynylphenyl)-4-[hydroxy-(4-propan-2-ylphenyl)methylidene]-1-(6-methylpyridazin-3-yl)pyrrolidine-2,3-dione;5-(4-hydroxyphenyl)-4-[hydroxy-(4-propan-2-ylphenyl)methylidene]-1-(6-methylpyridazin-3-yl)pyrrolidine-2,3-dione;4-[hydroxy-(4-propan-2-ylphenyl)methylidene]-5-[4-(2-methylpropyl)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-1-ylmethyl)phenyl]pyrrolidine-2,3-dione (CID 159295728) is 4-chloro-1-(6-methylpyridazin-3-yl)-3-(4-propan-2-ylbenzoyl)-2-[4-(trifluoromethoxy)phenyl]-2H-pyrrol-5-one;5-(4-ethynylphenyl)-4-[hydroxy-(4-propan-2-ylphenyl)methylidene]-1-(6-methylpyridazin-3-yl)pyrrolidine-2,3-dione;5-(4-hydroxyphenyl)-4-[hydroxy-(4-propan-2-ylphenyl)methylidene]-1-(6-methylpyridazin-3-yl)pyrrolidine-2,3-dione;4-[hydroxy-(4-propan-2-ylphenyl)methylidene]-5-[4-(2-methylpropyl)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-1-ylmethyl)phenyl]pyrrolidine-2,3-dione.

What is the SMILES notation for 4-chloro-1-(6-methylpyridazin-3-yl)-3-(4-propan-2-ylbenzoyl)-2-[4-(trifluoromethoxy)phenyl]-2H-pyrrol-5-one;5-(4-ethynylphenyl)-4-[hydroxy-(4-propan-2-ylphenyl)methylidene]-1-(6-methylpyridazin-3-yl)pyrrolidine-2,3-dione;5-(4-hydroxyphenyl)-4-[hydroxy-(4-propan-2-ylphenyl)methylidene]-1-(6-methylpyridazin-3-yl)pyrrolidine-2,3-dione;4-[hydroxy-(4-propan-2-ylphenyl)methylidene]-5-[4-(2-methylpropyl)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-1-ylmethyl)phenyl]pyrrolidine-2,3-dione?

The canonical SMILES for 4-chloro-1-(6-methylpyridazin-3-yl)-3-(4-propan-2-ylbenzoyl)-2-[4-(trifluoromethoxy)phenyl]-2H-pyrrol-5-one;5-(4-ethynylphenyl)-4-[hydroxy-(4-propan-2-ylphenyl)methylidene]-1-(6-methylpyridazin-3-yl)pyrrolidine-2,3-dione;5-(4-hydroxyphenyl)-4-[hydroxy-(4-propan-2-ylphenyl)methylidene]-1-(6-methylpyridazin-3-yl)pyrrolidine-2,3-dione;4-[hydroxy-(4-propan-2-ylphenyl)methylidene]-5-[4-(2-methylpropyl)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-1-ylmethyl)phenyl]pyrrolidine-2,3-dione is C#Cc1ccc(C2C(=C(O)c3ccc(C(C)C)cc3)C(=O)C(=O)N2c2ccc(C)nn2)cc1.Cc1ccc(N2C(=O)C(=O)C(=C(O)c3ccc(C(C)C)cc3)C2c2ccc(CC(C)C)cc2)nn1.Cc1ccc(N2C(=O)C(=O)C(=C(O)c3ccc(C(C)C)cc3)C2c2ccc(Cn3cnnn3)cc2)nn1.Cc1ccc(N2C(=O)C(=O)C(=C(O)c3ccc(C(C)C)cc3)C2c2ccc(O)cc2)nn1.Cc1ccc(N2C(=O)C(Cl)=C(C(=O)c3ccc(C(C)C)cc3)C2c2ccc(OC(F)(F)F)cc2)nn1.

What is the InChIKey of 4-chloro-1-(6-methylpyridazin-3-yl)-3-(4-propan-2-ylbenzoyl)-2-[4-(trifluoromethoxy)phenyl]-2H-pyrrol-5-one;5-(4-ethynylphenyl)-4-[hydroxy-(4-propan-2-ylphenyl)methylidene]-1-(6-methylpyridazin-3-yl)pyrrolidine-2,3-dione;5-(4-hydroxyphenyl)-4-[hydroxy-(4-propan-2-ylphenyl)methylidene]-1-(6-methylpyridazin-3-yl)pyrrolidine-2,3-dione;4-[hydroxy-(4-propan-2-ylphenyl)methylidene]-5-[4-(2-methylpropyl)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-1-ylmethyl)phenyl]pyrrolidine-2,3-dione?

The InChIKey is ZZYWVLYCMQOHLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H31N3O3.C27H25N7O3.C27H23N3O3.C26H21ClF3N3O3.C25H23N3O4/c1-17(2)16-20-7-9-22(10-8-20)26-25(27(33)23-13-11-21(12-14-23)18(3)4)28(34)29(35)32(26)24-15-6-19(5)30-31-24;1-16(2)19-9-11-21(12-10-19)25(35)23-24(20-7-5-18(6-8-20)14-33-15-28-31-32-33)34(27(37)26(23)36)22-13-4-17(3)29-30-22;1-5-18-7-9-20(10-8-18)24-23(25(31)21-13-11-19(12-14-21)16(2)3)26(32)27(33)30(24)22-15-6-17(4)28-29-22;1-14(2)16-5-7-18(8-6-16)24(34)21-22(27)25(35)33(20-13-4-15(3)31-32-20)23(21)17-9-11-19(12-10-17)36-26(28,29)30;1-14(2)16-5-7-18(8-6-16)23(30)21-22(17-9-11-19(29)12-10-17)28(25(32)24(21)31)20-13-4-15(3)26-27-20/h6-15,17-18,26,33H,16H2,1-5H3;4-13,15-16,24,35H,14H2,1-3H3;1,6-16,24,31H,2-4H3;4-14,23H,1-3H3;4-14,22,29-30H,1-3H3.

What are the key properties of 4-chloro-1-(6-methylpyridazin-3-yl)-3-(4-propan-2-ylbenzoyl)-2-[4-(trifluoromethoxy)phenyl]-2H-pyrrol-5-one;5-(4-ethynylphenyl)-4-[hydroxy-(4-propan-2-ylphenyl)methylidene]-1-(6-methylpyridazin-3-yl)pyrrolidine-2,3-dione;5-(4-hydroxyphenyl)-4-[hydroxy-(4-propan-2-ylphenyl)methylidene]-1-(6-methylpyridazin-3-yl)pyrrolidine-2,3-dione;4-[hydroxy-(4-propan-2-ylphenyl)methylidene]-5-[4-(2-methylpropyl)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-1-ylmethyl)phenyl]pyrrolidine-2,3-dione?

4-chloro-1-(6-methylpyridazin-3-yl)-3-(4-propan-2-ylbenzoyl)-2-[4-(trifluoromethoxy)phenyl]-2H-pyrrol-5-one;5-(4-ethynylphenyl)-4-[hydroxy-(4-propan-2-ylphenyl)methylidene]-1-(6-methylpyridazin-3-yl)pyrrolidine-2,3-dione;5-(4-hydroxyphenyl)-4-[hydroxy-(4-propan-2-ylphenyl)methylidene]-1-(6-methylpyridazin-3-yl)pyrrolidine-2,3-dione;4-[hydroxy-(4-propan-2-ylphenyl)methylidene]-5-[4-(2-methylpropyl)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-1-ylmethyl)phenyl]pyrrolidine-2,3-dione has a molecular weight of 2348.02 g/mol, XLogP of 24.33, 26 rotatable bonds, 5 hydrogen bond donors, and 30 hydrogen bond acceptors.

Where does this data come from?

All data for 4-chloro-1-(6-methylpyridazin-3-yl)-3-(4-propan-2-ylbenzoyl)-2-[4-(trifluoromethoxy)phenyl]-2H-pyrrol-5-one;5-(4-ethynylphenyl)-4-[hydroxy-(4-propan-2-ylphenyl)methylidene]-1-(6-methylpyridazin-3-yl)pyrrolidine-2,3-dione;5-(4-hydroxyphenyl)-4-[hydroxy-(4-propan-2-ylphenyl)methylidene]-1-(6-methylpyridazin-3-yl)pyrrolidine-2,3-dione;4-[hydroxy-(4-propan-2-ylphenyl)methylidene]-5-[4-(2-methylpropyl)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-1-ylmethyl)phenyl]pyrrolidine-2,3-dione is sourced from PubChem (CID 159295728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).