5-[4-(difluoromethoxy)phenyl]-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-methylpropan-2-yl)oxy]phenyl]-1-(6-methylpyridazin-3-yl)pyrrolidine-2,3-dione;4-[hydroxy-(4-propan-2-ylphenyl)methylidene]-1-(6-methylpyridazin-3-yl)-5-(4-propan-2-yloxyphenyl)pyrrolidine-2,3-dione;4-methoxy-3-(4-methylbenzoyl)-1-(6-methylpyridazin-3-yl)-2-[4-(trifluoromethoxy)phenyl]-2H-pyrrol-5-one

C108H103F5N12O16 — CID 159235771

About 5-[4-(difluoromethoxy)phenyl]-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-methylpropan-2-yl)oxy]phenyl]-1-(6-methylpyridazin-3-yl)pyrrolidine-2,3-dione;4-[hydroxy-(4-propan-2-ylphenyl)methylidene]-1-(6-methylpyridazin-3-yl)-5-(4-propan-2-yloxyphenyl)pyrrolidine-2,3-dione;4-methoxy-3-(4-methylbenzoyl)-1-(6-methylpyridazin-3-yl)-2-[4-(trifluoromethoxy)phenyl]-2H-pyrrol-5-one

5-[4-(difluoromethoxy)phenyl]-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-methylpropan-2-yl)oxy]phenyl]-1-(6-methylpyridazin-3-yl)pyrrolidine-2,3-dione;4-[hydroxy-(4-propan-2-ylphenyl)methylidene]-1-(6-methylpyridazin-3-yl)-5-(4-propan-2-yloxyphenyl)pyrrolidine-2,3-dione;4-methoxy-3-(4-methylbenzoyl)-1-(6-methylpyridazin-3-yl)-2-[4-(trifluoromethoxy)phenyl]-2H-pyrrol-5-one (PubChem CID 159235771) has the molecular formula C108H103F5N12O16 and a molecular weight of 1920.07 g/mol. Its IUPAC name is 5-[4-(difluoromethoxy)phenyl]-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-methylpropan-2-yl)oxy]phenyl]-1-(6-methylpyridazin-3-yl)pyrrolidine-2,3-dione;4-[hydroxy-(4-propan-2-ylphenyl)methylidene]-1-(6-methylpyridazin-3-yl)-5-(4-propan-2-yloxyphenyl)pyrrolidine-2,3-dione;4-methoxy-3-(4-methylbenzoyl)-1-(6-methylpyridazin-3-yl)-2-[4-(trifluoromethoxy)phenyl]-2H-pyrrol-5-one.

Molecular Properties

• Compound Name: 5-[4-(difluoromethoxy)phenyl]-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-methylpropan-2-yl)oxy]phenyl]-1-(6-methylpyridazin-3-yl)pyrrolidine-2,3-dione;4-[hydroxy-(4-propan-2-ylphenyl)methylidene]-1-(6-methylpyridazin-3-yl)-5-(4-propan-2-yloxyphenyl)pyrrolidine-2,3-dione;4-methoxy-3-(4-methylbenzoyl)-1-(6-methylpyridazin-3-yl)-2-[4-(trifluoromethoxy)phenyl]-2H-pyrrol-5-one
• PubChem CID: 159235771
• Molecular Formula: C108H103F5N12O16
• Molecular Weight: 1920.07 g/mol
• Exact Mass: 1918.75
• IUPAC Name: 5-[4-(difluoromethoxy)phenyl]-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-methylpropan-2-yl)oxy]phenyl]-1-(6-methylpyridazin-3-yl)pyrrolidine-2,3-dione;4-[hydroxy-(4-propan-2-ylphenyl)methylidene]-1-(6-methylpyridazin-3-yl)-5-(4-propan-2-yloxyphenyl)pyrrolidine-2,3-dione;4-methoxy-3-(4-methylbenzoyl)-1-(6-methylpyridazin-3-yl)-2-[4-(trifluoromethoxy)phenyl]-2H-pyrrol-5-one
• SMILES: COC1=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(OC(C)(C)C)cc2)nn1.Cc1ccc(N2C(=O)C(=O)C(=C(O)c3ccc(C(C)C)cc3)C2c2ccc(OC(C)C)cc2)nn1.Cc1ccc(N2C(=O)C(=O)C(=C(O)c3ccc(C(C)C)cc3)C2c2ccc(OC(F)F)cc2)nn1
• InChI: InChI=1S/C29H31N3O4.C28H29N3O4.C26H23F2N3O4.C25H20F3N3O4/c1-17(2)19-8-10-21(11-9-19)26(33)24-25(20-12-14-22(15-13-20)36-29(4,5)6)32(28(35)27(24)34)23-16-7-18(3)30-31-23;1-16(2)19-7-9-21(10-8-19)26(32)24-25(20-11-13-22(14-12-20)35-17(3)4)31(28(34)27(24)33)23-15-6-18(5)29-30-23;1-14(2)16-5-7-18(8-6-16)23(32)21-22(17-9-11-19(12-10-17)35-26(27)28)31(25(34)24(21)33)20-13-4-15(3)29-30-20;1-14-4-7-17(8-5-14)22(32)20-21(16-9-11-18(12-10-16)35-25(26,27)28)31(24(33)23(20)34-3)19-13-6-15(2)29-30-19/h7-17,25,33H,1-6H3;6-17,25,32H,1-5H3;4-14,22,26,32H,1-3H3;4-13,21H,1-3H3
• InChIKey: WHMIYTZWEPNYSV-UHFFFAOYSA-N
• XLogP: 21.03
• TPSA: 359.48 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 24
• Rotatable Bonds: 23
• Heavy Atoms: 141
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1920.07
LogP ≤ 5	21.03
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	24

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-[4-(difluoromethoxy)phenyl]-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-methylpropan-2-yl)oxy]phenyl]-1-(6-methylpyridazin-3-yl)pyrrolidine-2,3-dione;4-[hydroxy-(4-propan-2-ylphenyl)methylidene]-1-(6-methylpyridazin-3-yl)-5-(4-propan-2-yloxyphenyl)pyrrolidine-2,3-dione;4-methoxy-3-(4-methylbenzoyl)-1-(6-methylpyridazin-3-yl)-2-[4-(trifluoromethoxy)phenyl]-2H-pyrrol-5-one?

The IUPAC name of 5-[4-(difluoromethoxy)phenyl]-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-methylpropan-2-yl)oxy]phenyl]-1-(6-methylpyridazin-3-yl)pyrrolidine-2,3-dione;4-[hydroxy-(4-propan-2-ylphenyl)methylidene]-1-(6-methylpyridazin-3-yl)-5-(4-propan-2-yloxyphenyl)pyrrolidine-2,3-dione;4-methoxy-3-(4-methylbenzoyl)-1-(6-methylpyridazin-3-yl)-2-[4-(trifluoromethoxy)phenyl]-2H-pyrrol-5-one (CID 159235771) is 5-[4-(difluoromethoxy)phenyl]-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-methylpropan-2-yl)oxy]phenyl]-1-(6-methylpyridazin-3-yl)pyrrolidine-2,3-dione;4-[hydroxy-(4-propan-2-ylphenyl)methylidene]-1-(6-methylpyridazin-3-yl)-5-(4-propan-2-yloxyphenyl)pyrrolidine-2,3-dione;4-methoxy-3-(4-methylbenzoyl)-1-(6-methylpyridazin-3-yl)-2-[4-(trifluoromethoxy)phenyl]-2H-pyrrol-5-one.

What is the SMILES notation for 5-[4-(difluoromethoxy)phenyl]-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-methylpropan-2-yl)oxy]phenyl]-1-(6-methylpyridazin-3-yl)pyrrolidine-2,3-dione;4-[hydroxy-(4-propan-2-ylphenyl)methylidene]-1-(6-methylpyridazin-3-yl)-5-(4-propan-2-yloxyphenyl)pyrrolidine-2,3-dione;4-methoxy-3-(4-methylbenzoyl)-1-(6-methylpyridazin-3-yl)-2-[4-(trifluoromethoxy)phenyl]-2H-pyrrol-5-one?

The canonical SMILES for 5-[4-(difluoromethoxy)phenyl]-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-methylpropan-2-yl)oxy]phenyl]-1-(6-methylpyridazin-3-yl)pyrrolidine-2,3-dione;4-[hydroxy-(4-propan-2-ylphenyl)methylidene]-1-(6-methylpyridazin-3-yl)-5-(4-propan-2-yloxyphenyl)pyrrolidine-2,3-dione;4-methoxy-3-(4-methylbenzoyl)-1-(6-methylpyridazin-3-yl)-2-[4-(trifluoromethoxy)phenyl]-2H-pyrrol-5-one is COC1=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(OC(C)(C)C)cc2)nn1.Cc1ccc(N2C(=O)C(=O)C(=C(O)c3ccc(C(C)C)cc3)C2c2ccc(OC(C)C)cc2)nn1.Cc1ccc(N2C(=O)C(=O)C(=C(O)c3ccc(C(C)C)cc3)C2c2ccc(OC(F)F)cc2)nn1.

What is the InChIKey of 5-[4-(difluoromethoxy)phenyl]-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-methylpropan-2-yl)oxy]phenyl]-1-(6-methylpyridazin-3-yl)pyrrolidine-2,3-dione;4-[hydroxy-(4-propan-2-ylphenyl)methylidene]-1-(6-methylpyridazin-3-yl)-5-(4-propan-2-yloxyphenyl)pyrrolidine-2,3-dione;4-methoxy-3-(4-methylbenzoyl)-1-(6-methylpyridazin-3-yl)-2-[4-(trifluoromethoxy)phenyl]-2H-pyrrol-5-one?

The InChIKey is WHMIYTZWEPNYSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H31N3O4.C28H29N3O4.C26H23F2N3O4.C25H20F3N3O4/c1-17(2)19-8-10-21(11-9-19)26(33)24-25(20-12-14-22(15-13-20)36-29(4,5)6)32(28(35)27(24)34)23-16-7-18(3)30-31-23;1-16(2)19-7-9-21(10-8-19)26(32)24-25(20-11-13-22(14-12-20)35-17(3)4)31(28(34)27(24)33)23-15-6-18(5)29-30-23;1-14(2)16-5-7-18(8-6-16)23(32)21-22(17-9-11-19(12-10-17)35-26(27)28)31(25(34)24(21)33)20-13-4-15(3)29-30-20;1-14-4-7-17(8-5-14)22(32)20-21(16-9-11-18(12-10-16)35-25(26,27)28)31(24(33)23(20)34-3)19-13-6-15(2)29-30-19/h7-17,25,33H,1-6H3;6-17,25,32H,1-5H3;4-14,22,26,32H,1-3H3;4-13,21H,1-3H3.

What are the key properties of 5-[4-(difluoromethoxy)phenyl]-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-methylpropan-2-yl)oxy]phenyl]-1-(6-methylpyridazin-3-yl)pyrrolidine-2,3-dione;4-[hydroxy-(4-propan-2-ylphenyl)methylidene]-1-(6-methylpyridazin-3-yl)-5-(4-propan-2-yloxyphenyl)pyrrolidine-2,3-dione;4-methoxy-3-(4-methylbenzoyl)-1-(6-methylpyridazin-3-yl)-2-[4-(trifluoromethoxy)phenyl]-2H-pyrrol-5-one?

5-[4-(difluoromethoxy)phenyl]-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-methylpropan-2-yl)oxy]phenyl]-1-(6-methylpyridazin-3-yl)pyrrolidine-2,3-dione;4-[hydroxy-(4-propan-2-ylphenyl)methylidene]-1-(6-methylpyridazin-3-yl)-5-(4-propan-2-yloxyphenyl)pyrrolidine-2,3-dione;4-methoxy-3-(4-methylbenzoyl)-1-(6-methylpyridazin-3-yl)-2-[4-(trifluoromethoxy)phenyl]-2H-pyrrol-5-one has a molecular weight of 1920.07 g/mol, XLogP of 21.03, 23 rotatable bonds, 3 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[4-(difluoromethoxy)phenyl]-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-methylpropan-2-yl)oxy]phenyl]-1-(6-methylpyridazin-3-yl)pyrrolidine-2,3-dione;4-[hydroxy-(4-propan-2-ylphenyl)methylidene]-1-(6-methylpyridazin-3-yl)-5-(4-propan-2-yloxyphenyl)pyrrolidine-2,3-dione;4-methoxy-3-(4-methylbenzoyl)-1-(6-methylpyridazin-3-yl)-2-[4-(trifluoromethoxy)phenyl]-2H-pyrrol-5-one is sourced from PubChem (CID 159235771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).