4-[hydroxy-(4-propan-2-ylphenyl)methylidene]-1-(6-methylpyridazin-3-yl)-5-[4-(oxan-4-yloxy)phenyl]pyrrolidine-2,3-dione;4-[hydroxy-(4-propan-2-ylphenyl)methylidene]-1-(6-methylpyridazin-3-yl)-5-[4-(1,2,4-triazol-1-ylmethyl)phenyl]pyrrolidine-2,3-dione;4-[hydroxy-(4-propan-2-ylphenyl)methylidene]-1-(6-methylpyridazin-3-yl)-5-[4-(1,2,4-triazol-1-yl)phenyl]pyrrolidine-2,3-dione;4-[hydroxy-(4-prop-1-en-2-ylphenyl)methylidene]-1-(6-methylpyridazin-3-yl)-5-[4-(trifluoromethoxy)phenyl]pyrrolidine-2,3-dione

C111H101F3N18O15 — CID 158302122

About 4-[hydroxy-(4-propan-2-ylphenyl)methylidene]-1-(6-methylpyridazin-3-yl)-5-[4-(oxan-4-yloxy)phenyl]pyrrolidine-2,3-dione;4-[hydroxy-(4-propan-2-ylphenyl)methylidene]-1-(6-methylpyridazin-3-yl)-5-[4-(1,2,4-triazol-1-ylmethyl)phenyl]pyrrolidine-2,3-dione;4-[hydroxy-(4-propan-2-ylphenyl)methylidene]-1-(6-methylpyridazin-3-yl)-5-[4-(1,2,4-triazol-1-yl)phenyl]pyrrolidine-2,3-dione;4-[hydroxy-(4-prop-1-en-2-ylphenyl)methylidene]-1-(6-methylpyridazin-3-yl)-5-[4-(trifluoromethoxy)phenyl]pyrrolidine-2,3-dione

4-[hydroxy-(4-propan-2-ylphenyl)methylidene]-1-(6-methylpyridazin-3-yl)-5-[4-(oxan-4-yloxy)phenyl]pyrrolidine-2,3-dione;4-[hydroxy-(4-propan-2-ylphenyl)methylidene]-1-(6-methylpyridazin-3-yl)-5-[4-(1,2,4-triazol-1-ylmethyl)phenyl]pyrrolidine-2,3-dione;4-[hydroxy-(4-propan-2-ylphenyl)methylidene]-1-(6-methylpyridazin-3-yl)-5-[4-(1,2,4-triazol-1-yl)phenyl]pyrrolidine-2,3-dione;4-[hydroxy-(4-prop-1-en-2-ylphenyl)methylidene]-1-(6-methylpyridazin-3-yl)-5-[4-(trifluoromethoxy)phenyl]pyrrolidine-2,3-dione (PubChem CID 158302122) has the molecular formula C111H101F3N18O15 and a molecular weight of 1984.13 g/mol. Its IUPAC name is 4-[hydroxy-(4-propan-2-ylphenyl)methylidene]-1-(6-methylpyridazin-3-yl)-5-[4-(oxan-4-yloxy)phenyl]pyrrolidine-2,3-dione;4-[hydroxy-(4-propan-2-ylphenyl)methylidene]-1-(6-methylpyridazin-3-yl)-5-[4-(1,2,4-triazol-1-ylmethyl)phenyl]pyrrolidine-2,3-dione;4-[hydroxy-(4-propan-2-ylphenyl)methylidene]-1-(6-methylpyridazin-3-yl)-5-[4-(1,2,4-triazol-1-yl)phenyl]pyrrolidine-2,3-dione;4-[hydroxy-(4-prop-1-en-2-ylphenyl)methylidene]-1-(6-methylpyridazin-3-yl)-5-[4-(trifluoromethoxy)phenyl]pyrrolidine-2,3-dione.

Molecular Properties

• Compound Name: 4-[hydroxy-(4-propan-2-ylphenyl)methylidene]-1-(6-methylpyridazin-3-yl)-5-[4-(oxan-4-yloxy)phenyl]pyrrolidine-2,3-dione;4-[hydroxy-(4-propan-2-ylphenyl)methylidene]-1-(6-methylpyridazin-3-yl)-5-[4-(1,2,4-triazol-1-ylmethyl)phenyl]pyrrolidine-2,3-dione;4-[hydroxy-(4-propan-2-ylphenyl)methylidene]-1-(6-methylpyridazin-3-yl)-5-[4-(1,2,4-triazol-1-yl)phenyl]pyrrolidine-2,3-dione;4-[hydroxy-(4-prop-1-en-2-ylphenyl)methylidene]-1-(6-methylpyridazin-3-yl)-5-[4-(trifluoromethoxy)phenyl]pyrrolidine-2,3-dione
• PubChem CID: 158302122
• Molecular Formula: C111H101F3N18O15
• Molecular Weight: 1984.13 g/mol
• Exact Mass: 1982.76
• IUPAC Name: 4-[hydroxy-(4-propan-2-ylphenyl)methylidene]-1-(6-methylpyridazin-3-yl)-5-[4-(oxan-4-yloxy)phenyl]pyrrolidine-2,3-dione;4-[hydroxy-(4-propan-2-ylphenyl)methylidene]-1-(6-methylpyridazin-3-yl)-5-[4-(1,2,4-triazol-1-ylmethyl)phenyl]pyrrolidine-2,3-dione;4-[hydroxy-(4-propan-2-ylphenyl)methylidene]-1-(6-methylpyridazin-3-yl)-5-[4-(1,2,4-triazol-1-yl)phenyl]pyrrolidine-2,3-dione;4-[hydroxy-(4-prop-1-en-2-ylphenyl)methylidene]-1-(6-methylpyridazin-3-yl)-5-[4-(trifluoromethoxy)phenyl]pyrrolidine-2,3-dione
• SMILES: C=C(C)c1ccc(C(O)=C2C(=O)C(=O)N(c3ccc(C)nn3)C2c2ccc(OC(F)(F)F)cc2)cc1.Cc1ccc(N2C(=O)C(=O)C(=C(O)c3ccc(C(C)C)cc3)C2c2ccc(-n3cncn3)cc2)nn1.Cc1ccc(N2C(=O)C(=O)C(=C(O)c3ccc(C(C)C)cc3)C2c2ccc(Cn3cncn3)cc2)nn1.Cc1ccc(N2C(=O)C(=O)C(=C(O)c3ccc(C(C)C)cc3)C2c2ccc(OC3CCOCC3)cc2)nn1
• InChI: InChI=1S/C30H31N3O5.C28H26N6O3.C27H24N6O3.C26H20F3N3O4/c1-18(2)20-5-7-22(8-6-20)28(34)26-27(33(30(36)29(26)35)25-13-4-19(3)31-32-25)21-9-11-23(12-10-21)38-24-14-16-37-17-15-24;1-17(2)20-9-11-22(12-10-20)26(35)24-25(21-7-5-19(6-8-21)14-33-16-29-15-30-33)34(28(37)27(24)36)23-13-4-18(3)31-32-23;1-16(2)18-5-7-20(8-6-18)25(34)23-24(19-9-11-21(12-10-19)32-15-28-14-29-32)33(27(36)26(23)35)22-13-4-17(3)30-31-22;1-14(2)16-5-7-18(8-6-16)23(33)21-22(17-9-11-19(12-10-17)36-26(27,28)29)32(25(35)24(21)34)20-13-4-15(3)30-31-20/h4-13,18,24,27,34H,14-17H2,1-3H3;4-13,15-17,25,35H,14H2,1-3H3;4-16,24,34H,1-3H3;4-13,22,33H,1H2,2-3H3
• InChIKey: QAQYEVMHVYIUNJ-UHFFFAOYSA-N
• XLogP: 18.73
• TPSA: 422.67 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 29
• Rotatable Bonds: 22
• Heavy Atoms: 147
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1984.13
LogP ≤ 5	18.73
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	29

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-(oxan-4-yloxy)phenyl]pyrrolidine-2,3-dione;4-[hydroxy-(4-propan-2-ylphenyl)methylidene]-1-(6-methylpyridazin-3-yl)-5-[4-(1,2,4-triazol-1-ylmethyl)phenyl]pyrrolidine-2,3-dione;4-[hydroxy-(4-propan-2-ylphenyl)methylidene]-1-(6-methylpyridazin-3-yl)-5-[4-(1,2,4-triazol-1-yl)phenyl]pyrrolidine-2,3-dione;4-[hydroxy-(4-prop-1-en-2-ylphenyl)methylidene]-1-(6-methylpyridazin-3-yl)-5-[4-(trifluoromethoxy)phenyl]pyrrolidine-2,3-dione?

The IUPAC name of 4-[hydroxy-(4-propan-2-ylphenyl)methylidene]-1-(6-methylpyridazin-3-yl)-5-[4-(oxan-4-yloxy)phenyl]pyrrolidine-2,3-dione;4-[hydroxy-(4-propan-2-ylphenyl)methylidene]-1-(6-methylpyridazin-3-yl)-5-[4-(1,2,4-triazol-1-ylmethyl)phenyl]pyrrolidine-2,3-dione;4-[hydroxy-(4-propan-2-ylphenyl)methylidene]-1-(6-methylpyridazin-3-yl)-5-[4-(1,2,4-triazol-1-yl)phenyl]pyrrolidine-2,3-dione;4-[hydroxy-(4-prop-1-en-2-ylphenyl)methylidene]-1-(6-methylpyridazin-3-yl)-5-[4-(trifluoromethoxy)phenyl]pyrrolidine-2,3-dione (CID 158302122) is 4-[hydroxy-(4-propan-2-ylphenyl)methylidene]-1-(6-methylpyridazin-3-yl)-5-[4-(oxan-4-yloxy)phenyl]pyrrolidine-2,3-dione;4-[hydroxy-(4-propan-2-ylphenyl)methylidene]-1-(6-methylpyridazin-3-yl)-5-[4-(1,2,4-triazol-1-ylmethyl)phenyl]pyrrolidine-2,3-dione;4-[hydroxy-(4-propan-2-ylphenyl)methylidene]-1-(6-methylpyridazin-3-yl)-5-[4-(1,2,4-triazol-1-yl)phenyl]pyrrolidine-2,3-dione;4-[hydroxy-(4-prop-1-en-2-ylphenyl)methylidene]-1-(6-methylpyridazin-3-yl)-5-[4-(trifluoromethoxy)phenyl]pyrrolidine-2,3-dione.

What is the SMILES notation for 4-[hydroxy-(4-propan-2-ylphenyl)methylidene]-1-(6-methylpyridazin-3-yl)-5-[4-(oxan-4-yloxy)phenyl]pyrrolidine-2,3-dione;4-[hydroxy-(4-propan-2-ylphenyl)methylidene]-1-(6-methylpyridazin-3-yl)-5-[4-(1,2,4-triazol-1-ylmethyl)phenyl]pyrrolidine-2,3-dione;4-[hydroxy-(4-propan-2-ylphenyl)methylidene]-1-(6-methylpyridazin-3-yl)-5-[4-(1,2,4-triazol-1-yl)phenyl]pyrrolidine-2,3-dione;4-[hydroxy-(4-prop-1-en-2-ylphenyl)methylidene]-1-(6-methylpyridazin-3-yl)-5-[4-(trifluoromethoxy)phenyl]pyrrolidine-2,3-dione?

The canonical SMILES for 4-[hydroxy-(4-propan-2-ylphenyl)methylidene]-1-(6-methylpyridazin-3-yl)-5-[4-(oxan-4-yloxy)phenyl]pyrrolidine-2,3-dione;4-[hydroxy-(4-propan-2-ylphenyl)methylidene]-1-(6-methylpyridazin-3-yl)-5-[4-(1,2,4-triazol-1-ylmethyl)phenyl]pyrrolidine-2,3-dione;4-[hydroxy-(4-propan-2-ylphenyl)methylidene]-1-(6-methylpyridazin-3-yl)-5-[4-(1,2,4-triazol-1-yl)phenyl]pyrrolidine-2,3-dione;4-[hydroxy-(4-prop-1-en-2-ylphenyl)methylidene]-1-(6-methylpyridazin-3-yl)-5-[4-(trifluoromethoxy)phenyl]pyrrolidine-2,3-dione is C=C(C)c1ccc(C(O)=C2C(=O)C(=O)N(c3ccc(C)nn3)C2c2ccc(OC(F)(F)F)cc2)cc1.Cc1ccc(N2C(=O)C(=O)C(=C(O)c3ccc(C(C)C)cc3)C2c2ccc(-n3cncn3)cc2)nn1.Cc1ccc(N2C(=O)C(=O)C(=C(O)c3ccc(C(C)C)cc3)C2c2ccc(Cn3cncn3)cc2)nn1.Cc1ccc(N2C(=O)C(=O)C(=C(O)c3ccc(C(C)C)cc3)C2c2ccc(OC3CCOCC3)cc2)nn1.

What is the InChIKey of 4-[hydroxy-(4-propan-2-ylphenyl)methylidene]-1-(6-methylpyridazin-3-yl)-5-[4-(oxan-4-yloxy)phenyl]pyrrolidine-2,3-dione;4-[hydroxy-(4-propan-2-ylphenyl)methylidene]-1-(6-methylpyridazin-3-yl)-5-[4-(1,2,4-triazol-1-ylmethyl)phenyl]pyrrolidine-2,3-dione;4-[hydroxy-(4-propan-2-ylphenyl)methylidene]-1-(6-methylpyridazin-3-yl)-5-[4-(1,2,4-triazol-1-yl)phenyl]pyrrolidine-2,3-dione;4-[hydroxy-(4-prop-1-en-2-ylphenyl)methylidene]-1-(6-methylpyridazin-3-yl)-5-[4-(trifluoromethoxy)phenyl]pyrrolidine-2,3-dione?

The InChIKey is QAQYEVMHVYIUNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H31N3O5.C28H26N6O3.C27H24N6O3.C26H20F3N3O4/c1-18(2)20-5-7-22(8-6-20)28(34)26-27(33(30(36)29(26)35)25-13-4-19(3)31-32-25)21-9-11-23(12-10-21)38-24-14-16-37-17-15-24;1-17(2)20-9-11-22(12-10-20)26(35)24-25(21-7-5-19(6-8-21)14-33-16-29-15-30-33)34(28(37)27(24)36)23-13-4-18(3)31-32-23;1-16(2)18-5-7-20(8-6-18)25(34)23-24(19-9-11-21(12-10-19)32-15-28-14-29-32)33(27(36)26(23)35)22-13-4-17(3)30-31-22;1-14(2)16-5-7-18(8-6-16)23(33)21-22(17-9-11-19(12-10-17)36-26(27,28)29)32(25(35)24(21)34)20-13-4-15(3)30-31-20/h4-13,18,24,27,34H,14-17H2,1-3H3;4-13,15-17,25,35H,14H2,1-3H3;4-16,24,34H,1-3H3;4-13,22,33H,1H2,2-3H3.

What are the key properties of 4-[hydroxy-(4-propan-2-ylphenyl)methylidene]-1-(6-methylpyridazin-3-yl)-5-[4-(oxan-4-yloxy)phenyl]pyrrolidine-2,3-dione;4-[hydroxy-(4-propan-2-ylphenyl)methylidene]-1-(6-methylpyridazin-3-yl)-5-[4-(1,2,4-triazol-1-ylmethyl)phenyl]pyrrolidine-2,3-dione;4-[hydroxy-(4-propan-2-ylphenyl)methylidene]-1-(6-methylpyridazin-3-yl)-5-[4-(1,2,4-triazol-1-yl)phenyl]pyrrolidine-2,3-dione;4-[hydroxy-(4-prop-1-en-2-ylphenyl)methylidene]-1-(6-methylpyridazin-3-yl)-5-[4-(trifluoromethoxy)phenyl]pyrrolidine-2,3-dione?

4-[hydroxy-(4-propan-2-ylphenyl)methylidene]-1-(6-methylpyridazin-3-yl)-5-[4-(oxan-4-yloxy)phenyl]pyrrolidine-2,3-dione;4-[hydroxy-(4-propan-2-ylphenyl)methylidene]-1-(6-methylpyridazin-3-yl)-5-[4-(1,2,4-triazol-1-ylmethyl)phenyl]pyrrolidine-2,3-dione;4-[hydroxy-(4-propan-2-ylphenyl)methylidene]-1-(6-methylpyridazin-3-yl)-5-[4-(1,2,4-triazol-1-yl)phenyl]pyrrolidine-2,3-dione;4-[hydroxy-(4-prop-1-en-2-ylphenyl)methylidene]-1-(6-methylpyridazin-3-yl)-5-[4-(trifluoromethoxy)phenyl]pyrrolidine-2,3-dione has a molecular weight of 1984.13 g/mol, XLogP of 18.73, 22 rotatable bonds, 4 hydrogen bond donors, and 29 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-(oxan-4-yloxy)phenyl]pyrrolidine-2,3-dione;4-[hydroxy-(4-propan-2-ylphenyl)methylidene]-1-(6-methylpyridazin-3-yl)-5-[4-(1,2,4-triazol-1-ylmethyl)phenyl]pyrrolidine-2,3-dione;4-[hydroxy-(4-propan-2-ylphenyl)methylidene]-1-(6-methylpyridazin-3-yl)-5-[4-(1,2,4-triazol-1-yl)phenyl]pyrrolidine-2,3-dione;4-[hydroxy-(4-prop-1-en-2-ylphenyl)methylidene]-1-(6-methylpyridazin-3-yl)-5-[4-(trifluoromethoxy)phenyl]pyrrolidine-2,3-dione is sourced from PubChem (CID 158302122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).