4-amino-1-(6-methylpyridazin-3-yl)-3-(4-propan-2-ylbenzoyl)-2-[4-(trifluoromethoxy)phenyl]-2H-pyrrol-5-one;5-[4-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]phenyl]-4-[hydroxy-(4-propan-2-ylphenyl)methylidene]-1-(6-methylpyridazin-3-yl)pyrrolidine-2,3-dione;4-[hydroxy-(4-propan-2-ylphenyl)methylidene]-1-(6-methyl-3-pyridinyl)-5-[4-(trifluoromethoxy)phenyl]pyrrolidine-2,3-dione;[3-(4-methylbenzoyl)-1-(6-methylpyridazin-3-yl)-5-oxo-2-[4-(trifluoromethoxy)phenyl]-2H-pyrrol-4-yl] acetate

C112H106F9N15O15 — CID 161298220

About 4-amino-1-(6-methylpyridazin-3-yl)-3-(4-propan-2-ylbenzoyl)-2-[4-(trifluoromethoxy)phenyl]-2H-pyrrol-5-one;5-[4-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]phenyl]-4-[hydroxy-(4-propan-2-ylphenyl)methylidene]-1-(6-methylpyridazin-3-yl)pyrrolidine-2,3-dione;4-[hydroxy-(4-propan-2-ylphenyl)methylidene]-1-(6-methyl-3-pyridinyl)-5-[4-(trifluoromethoxy)phenyl]pyrrolidine-2,3-dione;[3-(4-methylbenzoyl)-1-(6-methylpyridazin-3-yl)-5-oxo-2-[4-(trifluoromethoxy)phenyl]-2H-pyrrol-4-yl] acetate

4-amino-1-(6-methylpyridazin-3-yl)-3-(4-propan-2-ylbenzoyl)-2-[4-(trifluoromethoxy)phenyl]-2H-pyrrol-5-one;5-[4-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]phenyl]-4-[hydroxy-(4-propan-2-ylphenyl)methylidene]-1-(6-methylpyridazin-3-yl)pyrrolidine-2,3-dione;4-[hydroxy-(4-propan-2-ylphenyl)methylidene]-1-(6-methyl-3-pyridinyl)-5-[4-(trifluoromethoxy)phenyl]pyrrolidine-2,3-dione;[3-(4-methylbenzoyl)-1-(6-methylpyridazin-3-yl)-5-oxo-2-[4-(trifluoromethoxy)phenyl]-2H-pyrrol-4-yl] acetate (PubChem CID 161298220) has the molecular formula C112H106F9N15O15 and a molecular weight of 2073.15 g/mol. Its IUPAC name is 4-amino-1-(6-methylpyridazin-3-yl)-3-(4-propan-2-ylbenzoyl)-2-[4-(trifluoromethoxy)phenyl]-2H-pyrrol-5-one;5-[4-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]phenyl]-4-[hydroxy-(4-propan-2-ylphenyl)methylidene]-1-(6-methylpyridazin-3-yl)pyrrolidine-2,3-dione;4-[hydroxy-(4-propan-2-ylphenyl)methylidene]-1-(6-methyl-3-pyridinyl)-5-[4-(trifluoromethoxy)phenyl]pyrrolidine-2,3-dione;[3-(4-methylbenzoyl)-1-(6-methylpyridazin-3-yl)-5-oxo-2-[4-(trifluoromethoxy)phenyl]-2H-pyrrol-4-yl] acetate.

Molecular Properties

• Compound Name: 4-amino-1-(6-methylpyridazin-3-yl)-3-(4-propan-2-ylbenzoyl)-2-[4-(trifluoromethoxy)phenyl]-2H-pyrrol-5-one;5-[4-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]phenyl]-4-[hydroxy-(4-propan-2-ylphenyl)methylidene]-1-(6-methylpyridazin-3-yl)pyrrolidine-2,3-dione;4-[hydroxy-(4-propan-2-ylphenyl)methylidene]-1-(6-methyl-3-pyridinyl)-5-[4-(trifluoromethoxy)phenyl]pyrrolidine-2,3-dione;[3-(4-methylbenzoyl)-1-(6-methylpyridazin-3-yl)-5-oxo-2-[4-(trifluoromethoxy)phenyl]-2H-pyrrol-4-yl] acetate
• PubChem CID: 161298220
• Molecular Formula: C112H106F9N15O15
• Molecular Weight: 2073.15 g/mol
• Exact Mass: 2071.78
• IUPAC Name: 4-amino-1-(6-methylpyridazin-3-yl)-3-(4-propan-2-ylbenzoyl)-2-[4-(trifluoromethoxy)phenyl]-2H-pyrrol-5-one;5-[4-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]phenyl]-4-[hydroxy-(4-propan-2-ylphenyl)methylidene]-1-(6-methylpyridazin-3-yl)pyrrolidine-2,3-dione;4-[hydroxy-(4-propan-2-ylphenyl)methylidene]-1-(6-methyl-3-pyridinyl)-5-[4-(trifluoromethoxy)phenyl]pyrrolidine-2,3-dione;[3-(4-methylbenzoyl)-1-(6-methylpyridazin-3-yl)-5-oxo-2-[4-(trifluoromethoxy)phenyl]-2H-pyrrol-4-yl] acetate
• SMILES: CC(=O)OC1=C(C(=O)c2ccc(C)cc2)C(c2ccc(OC(F)(F)F)cc2)N(c2ccc(C)nn2)C1=O.Cc1ccc(N2C(=O)C(=O)C(=C(O)c3ccc(C(C)C)cc3)C2c2ccc(N3CCN(CCN(C)C)CC3)cc2)nn1.Cc1ccc(N2C(=O)C(=O)C(=C(O)c3ccc(C(C)C)cc3)C2c2ccc(OC(F)(F)F)cc2)cn1.Cc1ccc(N2C(=O)C(N)=C(C(=O)c3ccc(C(C)C)cc3)C2c2ccc(OC(F)(F)F)cc2)nn1
• InChI: InChI=1S/C33H40N6O3.C27H23F3N2O4.C26H23F3N4O3.C26H20F3N3O5/c1-22(2)24-7-9-26(10-8-24)31(40)29-30(39(33(42)32(29)41)28-15-6-23(3)34-35-28)25-11-13-27(14-12-25)38-20-18-37(19-21-38)17-16-36(4)5;1-15(2)17-5-7-19(8-6-17)24(33)22-23(18-9-12-21(13-10-18)36-27(28,29)30)32(26(35)25(22)34)20-11-4-16(3)31-14-20;1-14(2)16-5-7-18(8-6-16)24(34)21-22(30)25(35)33(20-13-4-15(3)31-32-20)23(21)17-9-11-19(12-10-17)36-26(27,28)29;1-14-4-7-18(8-5-14)23(34)21-22(17-9-11-19(12-10-17)37-26(27,28)29)32(20-13-6-15(2)30-31-20)25(35)24(21)36-16(3)33/h6-15,22,30,40H,16-21H2,1-5H3;4-15,23,33H,1-3H3;4-14,23H,30H2,1-3H3;4-13,22H,1-3H3
• InChIKey: RXNBPZDNGJDONN-UHFFFAOYSA-N
• XLogP: 20.03
• TPSA: 369.94 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 26
• Rotatable Bonds: 25
• Heavy Atoms: 151
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2073.15
LogP ≤ 5	20.03
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	26

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-amino-1-(6-methylpyridazin-3-yl)-3-(4-propan-2-ylbenzoyl)-2-[4-(trifluoromethoxy)phenyl]-2H-pyrrol-5-one;5-[4-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]phenyl]-4-[hydroxy-(4-propan-2-ylphenyl)methylidene]-1-(6-methylpyridazin-3-yl)pyrrolidine-2,3-dione;4-[hydroxy-(4-propan-2-ylphenyl)methylidene]-1-(6-methyl-3-pyridinyl)-5-[4-(trifluoromethoxy)phenyl]pyrrolidine-2,3-dione;[3-(4-methylbenzoyl)-1-(6-methylpyridazin-3-yl)-5-oxo-2-[4-(trifluoromethoxy)phenyl]-2H-pyrrol-4-yl] acetate?

The IUPAC name of 4-amino-1-(6-methylpyridazin-3-yl)-3-(4-propan-2-ylbenzoyl)-2-[4-(trifluoromethoxy)phenyl]-2H-pyrrol-5-one;5-[4-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]phenyl]-4-[hydroxy-(4-propan-2-ylphenyl)methylidene]-1-(6-methylpyridazin-3-yl)pyrrolidine-2,3-dione;4-[hydroxy-(4-propan-2-ylphenyl)methylidene]-1-(6-methyl-3-pyridinyl)-5-[4-(trifluoromethoxy)phenyl]pyrrolidine-2,3-dione;[3-(4-methylbenzoyl)-1-(6-methylpyridazin-3-yl)-5-oxo-2-[4-(trifluoromethoxy)phenyl]-2H-pyrrol-4-yl] acetate (CID 161298220) is 4-amino-1-(6-methylpyridazin-3-yl)-3-(4-propan-2-ylbenzoyl)-2-[4-(trifluoromethoxy)phenyl]-2H-pyrrol-5-one;5-[4-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]phenyl]-4-[hydroxy-(4-propan-2-ylphenyl)methylidene]-1-(6-methylpyridazin-3-yl)pyrrolidine-2,3-dione;4-[hydroxy-(4-propan-2-ylphenyl)methylidene]-1-(6-methyl-3-pyridinyl)-5-[4-(trifluoromethoxy)phenyl]pyrrolidine-2,3-dione;[3-(4-methylbenzoyl)-1-(6-methylpyridazin-3-yl)-5-oxo-2-[4-(trifluoromethoxy)phenyl]-2H-pyrrol-4-yl] acetate.

What is the SMILES notation for 4-amino-1-(6-methylpyridazin-3-yl)-3-(4-propan-2-ylbenzoyl)-2-[4-(trifluoromethoxy)phenyl]-2H-pyrrol-5-one;5-[4-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]phenyl]-4-[hydroxy-(4-propan-2-ylphenyl)methylidene]-1-(6-methylpyridazin-3-yl)pyrrolidine-2,3-dione;4-[hydroxy-(4-propan-2-ylphenyl)methylidene]-1-(6-methyl-3-pyridinyl)-5-[4-(trifluoromethoxy)phenyl]pyrrolidine-2,3-dione;[3-(4-methylbenzoyl)-1-(6-methylpyridazin-3-yl)-5-oxo-2-[4-(trifluoromethoxy)phenyl]-2H-pyrrol-4-yl] acetate?

The canonical SMILES for 4-amino-1-(6-methylpyridazin-3-yl)-3-(4-propan-2-ylbenzoyl)-2-[4-(trifluoromethoxy)phenyl]-2H-pyrrol-5-one;5-[4-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]phenyl]-4-[hydroxy-(4-propan-2-ylphenyl)methylidene]-1-(6-methylpyridazin-3-yl)pyrrolidine-2,3-dione;4-[hydroxy-(4-propan-2-ylphenyl)methylidene]-1-(6-methyl-3-pyridinyl)-5-[4-(trifluoromethoxy)phenyl]pyrrolidine-2,3-dione;[3-(4-methylbenzoyl)-1-(6-methylpyridazin-3-yl)-5-oxo-2-[4-(trifluoromethoxy)phenyl]-2H-pyrrol-4-yl] acetate is CC(=O)OC1=C(C(=O)c2ccc(C)cc2)C(c2ccc(OC(F)(F)F)cc2)N(c2ccc(C)nn2)C1=O.Cc1ccc(N2C(=O)C(=O)C(=C(O)c3ccc(C(C)C)cc3)C2c2ccc(N3CCN(CCN(C)C)CC3)cc2)nn1.Cc1ccc(N2C(=O)C(=O)C(=C(O)c3ccc(C(C)C)cc3)C2c2ccc(OC(F)(F)F)cc2)cn1.Cc1ccc(N2C(=O)C(N)=C(C(=O)c3ccc(C(C)C)cc3)C2c2ccc(OC(F)(F)F)cc2)nn1.

What is the InChIKey of 4-amino-1-(6-methylpyridazin-3-yl)-3-(4-propan-2-ylbenzoyl)-2-[4-(trifluoromethoxy)phenyl]-2H-pyrrol-5-one;5-[4-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]phenyl]-4-[hydroxy-(4-propan-2-ylphenyl)methylidene]-1-(6-methylpyridazin-3-yl)pyrrolidine-2,3-dione;4-[hydroxy-(4-propan-2-ylphenyl)methylidene]-1-(6-methyl-3-pyridinyl)-5-[4-(trifluoromethoxy)phenyl]pyrrolidine-2,3-dione;[3-(4-methylbenzoyl)-1-(6-methylpyridazin-3-yl)-5-oxo-2-[4-(trifluoromethoxy)phenyl]-2H-pyrrol-4-yl] acetate?

The InChIKey is RXNBPZDNGJDONN-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H40N6O3.C27H23F3N2O4.C26H23F3N4O3.C26H20F3N3O5/c1-22(2)24-7-9-26(10-8-24)31(40)29-30(39(33(42)32(29)41)28-15-6-23(3)34-35-28)25-11-13-27(14-12-25)38-20-18-37(19-21-38)17-16-36(4)5;1-15(2)17-5-7-19(8-6-17)24(33)22-23(18-9-12-21(13-10-18)36-27(28,29)30)32(26(35)25(22)34)20-11-4-16(3)31-14-20;1-14(2)16-5-7-18(8-6-16)24(34)21-22(30)25(35)33(20-13-4-15(3)31-32-20)23(21)17-9-11-19(12-10-17)36-26(27,28)29;1-14-4-7-18(8-5-14)23(34)21-22(17-9-11-19(12-10-17)37-26(27,28)29)32(20-13-6-15(2)30-31-20)25(35)24(21)36-16(3)33/h6-15,22,30,40H,16-21H2,1-5H3;4-15,23,33H,1-3H3;4-14,23H,30H2,1-3H3;4-13,22H,1-3H3.

What are the key properties of 4-amino-1-(6-methylpyridazin-3-yl)-3-(4-propan-2-ylbenzoyl)-2-[4-(trifluoromethoxy)phenyl]-2H-pyrrol-5-one;5-[4-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]phenyl]-4-[hydroxy-(4-propan-2-ylphenyl)methylidene]-1-(6-methylpyridazin-3-yl)pyrrolidine-2,3-dione;4-[hydroxy-(4-propan-2-ylphenyl)methylidene]-1-(6-methyl-3-pyridinyl)-5-[4-(trifluoromethoxy)phenyl]pyrrolidine-2,3-dione;[3-(4-methylbenzoyl)-1-(6-methylpyridazin-3-yl)-5-oxo-2-[4-(trifluoromethoxy)phenyl]-2H-pyrrol-4-yl] acetate?

4-amino-1-(6-methylpyridazin-3-yl)-3-(4-propan-2-ylbenzoyl)-2-[4-(trifluoromethoxy)phenyl]-2H-pyrrol-5-one;5-[4-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]phenyl]-4-[hydroxy-(4-propan-2-ylphenyl)methylidene]-1-(6-methylpyridazin-3-yl)pyrrolidine-2,3-dione;4-[hydroxy-(4-propan-2-ylphenyl)methylidene]-1-(6-methyl-3-pyridinyl)-5-[4-(trifluoromethoxy)phenyl]pyrrolidine-2,3-dione;[3-(4-methylbenzoyl)-1-(6-methylpyridazin-3-yl)-5-oxo-2-[4-(trifluoromethoxy)phenyl]-2H-pyrrol-4-yl] acetate has a molecular weight of 2073.15 g/mol, XLogP of 20.03, 25 rotatable bonds, 3 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for 4-amino-1-(6-methylpyridazin-3-yl)-3-(4-propan-2-ylbenzoyl)-2-[4-(trifluoromethoxy)phenyl]-2H-pyrrol-5-one;5-[4-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]phenyl]-4-[hydroxy-(4-propan-2-ylphenyl)methylidene]-1-(6-methylpyridazin-3-yl)pyrrolidine-2,3-dione;4-[hydroxy-(4-propan-2-ylphenyl)methylidene]-1-(6-methyl-3-pyridinyl)-5-[4-(trifluoromethoxy)phenyl]pyrrolidine-2,3-dione;[3-(4-methylbenzoyl)-1-(6-methylpyridazin-3-yl)-5-oxo-2-[4-(trifluoromethoxy)phenyl]-2H-pyrrol-4-yl] acetate is sourced from PubChem (CID 161298220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).