5-[4-(1,1-difluoroethyl)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-(1-methylpyrazol-3-yl)phenyl]-1-(6-methylpyridazin-3-yl)pyrrolidine-2,3-dione;4-[hydroxy-(4-propan-2-ylphenyl)methylidene]-1-(6-methylpyridazin-3-yl)-5-(4-prop-1-en-2-ylphenyl)pyrrolidine-2,3-dione;4-[hydroxy-(4-propan-2-ylphenyl)methylidene]-1-(6-oxo-1H-pyridazin-3-yl)-5-[4-(trifluoromethoxy)phenyl]pyrrolidine-2,3-dione;4-[hydroxy-[4-(trifluoromethoxy)phenyl]methylidene]-1-(6-methylpyridazin-3-yl)-5-[4-(1,2,4-triazol-1-ylmethyl)phenyl]pyrrolidine-2,3-dione

C135H118F8N20O18 — CID 158037566

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

5-[4-(1,1-difluoroethyl)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-(1-methylpyrazol-3-yl)phenyl]-1-(6-methylpyridazin-3-yl)pyrrolidine-2,3-dione;4-[hydroxy-(4-propan-2-ylphenyl)methylidene]-1-(6-methylpyridazin-3-yl)-5-(4-prop-1-en-2-ylphenyl)pyrrolidine-2,3-dione;4-[hydroxy-(4-propan-2-ylphenyl)methylidene]-1-(6-oxo-1H-pyridazin-3-yl)-5-[4-(trifluoromethoxy)phenyl]pyrrolidine-2,3-dione;4-[hydroxy-[4-(trifluoromethoxy)phenyl]methylidene]-1-(6-methylpyridazin-3-yl)-5-[4-(1,2,4-triazol-1-ylmethyl)phenyl]pyrrolidine-2,3-dione (PubChem CID 158037566) has the molecular formula C135H118F8N20O18 and a molecular weight of 2460.53 g/mol. Its IUPAC name is 5-[4-(1,1-difluoroethyl)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-(1-methylpyrazol-3-yl)phenyl]-1-(6-methylpyridazin-3-yl)pyrrolidine-2,3-dione;4-[hydroxy-(4-propan-2-ylphenyl)methylidene]-1-(6-methylpyridazin-3-yl)-5-(4-prop-1-en-2-ylphenyl)pyrrolidine-2,3-dione;4-[hydroxy-(4-propan-2-ylphenyl)methylidene]-1-(6-oxo-1H-pyridazin-3-yl)-5-[4-(trifluoromethoxy)phenyl]pyrrolidine-2,3-dione;4-[hydroxy-[4-(trifluoromethoxy)phenyl]methylidene]-1-(6-methylpyridazin-3-yl)-5-[4-(1,2,4-triazol-1-ylmethyl)phenyl]pyrrolidine-2,3-dione.

Molecular Properties

• Compound Name: 5-[4-(1,1-difluoroethyl)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-(1-methylpyrazol-3-yl)phenyl]-1-(6-methylpyridazin-3-yl)pyrrolidine-2,3-dione;4-[hydroxy-(4-propan-2-ylphenyl)methylidene]-1-(6-methylpyridazin-3-yl)-5-(4-prop-1-en-2-ylphenyl)pyrrolidine-2,3-dione;4-[hydroxy-(4-propan-2-ylphenyl)methylidene]-1-(6-oxo-1H-pyridazin-3-yl)-5-[4-(trifluoromethoxy)phenyl]pyrrolidine-2,3-dione;4-[hydroxy-[4-(trifluoromethoxy)phenyl]methylidene]-1-(6-methylpyridazin-3-yl)-5-[4-(1,2,4-triazol-1-ylmethyl)phenyl]pyrrolidine-2,3-dione
• PubChem CID: 158037566
• Molecular Formula: C135H118F8N20O18
• Molecular Weight: 2460.53 g/mol
• Exact Mass: 2458.88
• IUPAC Name: 5-[4-(1,1-difluoroethyl)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-(1-methylpyrazol-3-yl)phenyl]-1-(6-methylpyridazin-3-yl)pyrrolidine-2,3-dione;4-[hydroxy-(4-propan-2-ylphenyl)methylidene]-1-(6-methylpyridazin-3-yl)-5-(4-prop-1-en-2-ylphenyl)pyrrolidine-2,3-dione;4-[hydroxy-(4-propan-2-ylphenyl)methylidene]-1-(6-oxo-1H-pyridazin-3-yl)-5-[4-(trifluoromethoxy)phenyl]pyrrolidine-2,3-dione;4-[hydroxy-[4-(trifluoromethoxy)phenyl]methylidene]-1-(6-methylpyridazin-3-yl)-5-[4-(1,2,4-triazol-1-ylmethyl)phenyl]pyrrolidine-2,3-dione
• SMILES: C=C(C)c1ccc(C2C(=C(O)c3ccc(C(C)C)cc3)C(=O)C(=O)N2c2ccc(C)nn2)cc1.CC(C)c1ccc(C(O)=C2C(=O)C(=O)N(c3ccc(=O)[nH]n3)C2c2ccc(OC(F)(F)F)cc2)cc1.Cc1ccc(N2C(=O)C(=O)C(=C(O)c3ccc(C(C)C)cc3)C2c2ccc(-c3ccn(C)n3)cc2)nn1.Cc1ccc(N2C(=O)C(=O)C(=C(O)c3ccc(C(C)C)cc3)C2c2ccc(C(C)(F)F)cc2)nn1.Cc1ccc(N2C(=O)C(=O)C(=C(O)c3ccc(OC(F)(F)F)cc3)C2c2ccc(Cn3cncn3)cc2)nn1
• InChI: InChI=1S/C29H27N5O3.C28H27N3O3.C27H25F2N3O3.C26H19F3N6O4.C25H20F3N3O5/c1-17(2)19-6-12-22(13-7-19)27(35)25-26(21-10-8-20(9-11-21)23-15-16-33(4)32-23)34(29(37)28(25)36)24-14-5-18(3)30-31-24;1-16(2)19-7-11-21(12-8-19)25-24(26(32)22-13-9-20(10-14-22)17(3)4)27(33)28(34)31(25)23-15-6-18(5)29-30-23;1-15(2)17-6-8-19(9-7-17)24(33)22-23(18-10-12-20(13-11-18)27(4,28)29)32(26(35)25(22)34)21-14-5-16(3)30-31-21;1-15-2-11-20(33-32-15)35-22(17-5-3-16(4-6-17)12-34-14-30-13-31-34)21(24(37)25(35)38)23(36)18-7-9-19(10-8-18)39-26(27,28)29;1-13(2)14-3-5-16(6-4-14)22(33)20-21(15-7-9-17(10-8-15)36-25(26,27)28)31(24(35)23(20)34)18-11-12-19(32)30-29-18/h5-17,26,35H,1-4H3;6-15,17,25,32H,1H2,2-5H3;5-15,23,33H,1-4H3;2-11,13-14,22,36H,12H2,1H3;3-13,21,33H,1-2H3,(H,30,32)
• InChIKey: DIMYKGADCUUFSJ-UHFFFAOYSA-N
• XLogP: 24.52
• TPSA: 503.91 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 32
• Rotatable Bonds: 26
• Heavy Atoms: 181
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2460.53
LogP ≤ 5	24.52
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	32

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

The IUPAC name of 5-[4-(1,1-difluoroethyl)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-(1-methylpyrazol-3-yl)phenyl]-1-(6-methylpyridazin-3-yl)pyrrolidine-2,3-dione;4-[hydroxy-(4-propan-2-ylphenyl)methylidene]-1-(6-methylpyridazin-3-yl)-5-(4-prop-1-en-2-ylphenyl)pyrrolidine-2,3-dione;4-[hydroxy-(4-propan-2-ylphenyl)methylidene]-1-(6-oxo-1H-pyridazin-3-yl)-5-[4-(trifluoromethoxy)phenyl]pyrrolidine-2,3-dione;4-[hydroxy-[4-(trifluoromethoxy)phenyl]methylidene]-1-(6-methylpyridazin-3-yl)-5-[4-(1,2,4-triazol-1-ylmethyl)phenyl]pyrrolidine-2,3-dione (CID 158037566) is 5-[4-(1,1-difluoroethyl)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-(1-methylpyrazol-3-yl)phenyl]-1-(6-methylpyridazin-3-yl)pyrrolidine-2,3-dione;4-[hydroxy-(4-propan-2-ylphenyl)methylidene]-1-(6-methylpyridazin-3-yl)-5-(4-prop-1-en-2-ylphenyl)pyrrolidine-2,3-dione;4-[hydroxy-(4-propan-2-ylphenyl)methylidene]-1-(6-oxo-1H-pyridazin-3-yl)-5-[4-(trifluoromethoxy)phenyl]pyrrolidine-2,3-dione;4-[hydroxy-[4-(trifluoromethoxy)phenyl]methylidene]-1-(6-methylpyridazin-3-yl)-5-[4-(1,2,4-triazol-1-ylmethyl)phenyl]pyrrolidine-2,3-dione.

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

The canonical SMILES for 5-[4-(1,1-difluoroethyl)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-(1-methylpyrazol-3-yl)phenyl]-1-(6-methylpyridazin-3-yl)pyrrolidine-2,3-dione;4-[hydroxy-(4-propan-2-ylphenyl)methylidene]-1-(6-methylpyridazin-3-yl)-5-(4-prop-1-en-2-ylphenyl)pyrrolidine-2,3-dione;4-[hydroxy-(4-propan-2-ylphenyl)methylidene]-1-(6-oxo-1H-pyridazin-3-yl)-5-[4-(trifluoromethoxy)phenyl]pyrrolidine-2,3-dione;4-[hydroxy-[4-(trifluoromethoxy)phenyl]methylidene]-1-(6-methylpyridazin-3-yl)-5-[4-(1,2,4-triazol-1-ylmethyl)phenyl]pyrrolidine-2,3-dione is C=C(C)c1ccc(C2C(=C(O)c3ccc(C(C)C)cc3)C(=O)C(=O)N2c2ccc(C)nn2)cc1.CC(C)c1ccc(C(O)=C2C(=O)C(=O)N(c3ccc(=O)[nH]n3)C2c2ccc(OC(F)(F)F)cc2)cc1.Cc1ccc(N2C(=O)C(=O)C(=C(O)c3ccc(C(C)C)cc3)C2c2ccc(-c3ccn(C)n3)cc2)nn1.Cc1ccc(N2C(=O)C(=O)C(=C(O)c3ccc(C(C)C)cc3)C2c2ccc(C(C)(F)F)cc2)nn1.Cc1ccc(N2C(=O)C(=O)C(=C(O)c3ccc(OC(F)(F)F)cc3)C2c2ccc(Cn3cncn3)cc2)nn1.

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

The InChIKey is DIMYKGADCUUFSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H27N5O3.C28H27N3O3.C27H25F2N3O3.C26H19F3N6O4.C25H20F3N3O5/c1-17(2)19-6-12-22(13-7-19)27(35)25-26(21-10-8-20(9-11-21)23-15-16-33(4)32-23)34(29(37)28(25)36)24-14-5-18(3)30-31-24;1-16(2)19-7-11-21(12-8-19)25-24(26(32)22-13-9-20(10-14-22)17(3)4)27(33)28(34)31(25)23-15-6-18(5)29-30-23;1-15(2)17-6-8-19(9-7-17)24(33)22-23(18-10-12-20(13-11-18)27(4,28)29)32(26(35)25(22)34)21-14-5-16(3)30-31-21;1-15-2-11-20(33-32-15)35-22(17-5-3-16(4-6-17)12-34-14-30-13-31-34)21(24(37)25(35)38)23(36)18-7-9-19(10-8-18)39-26(27,28)29;1-13(2)14-3-5-16(6-4-14)22(33)20-21(15-7-9-17(10-8-15)36-25(26,27)28)31(24(35)23(20)34)18-11-12-19(32)30-29-18/h5-17,26,35H,1-4H3;6-15,17,25,32H,1H2,2-5H3;5-15,23,33H,1-4H3;2-11,13-14,22,36H,12H2,1H3;3-13,21,33H,1-2H3,(H,30,32).

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

5-[4-(1,1-difluoroethyl)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-(1-methylpyrazol-3-yl)phenyl]-1-(6-methylpyridazin-3-yl)pyrrolidine-2,3-dione;4-[hydroxy-(4-propan-2-ylphenyl)methylidene]-1-(6-methylpyridazin-3-yl)-5-(4-prop-1-en-2-ylphenyl)pyrrolidine-2,3-dione;4-[hydroxy-(4-propan-2-ylphenyl)methylidene]-1-(6-oxo-1H-pyridazin-3-yl)-5-[4-(trifluoromethoxy)phenyl]pyrrolidine-2,3-dione;4-[hydroxy-[4-(trifluoromethoxy)phenyl]methylidene]-1-(6-methylpyridazin-3-yl)-5-[4-(1,2,4-triazol-1-ylmethyl)phenyl]pyrrolidine-2,3-dione has a molecular weight of 2460.53 g/mol, XLogP of 24.52, 26 rotatable bonds, 6 hydrogen bond donors, and 32 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[4-(1,1-difluoroethyl)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-(1-methylpyrazol-3-yl)phenyl]-1-(6-methylpyridazin-3-yl)pyrrolidine-2,3-dione;4-[hydroxy-(4-propan-2-ylphenyl)methylidene]-1-(6-methylpyridazin-3-yl)-5-(4-prop-1-en-2-ylphenyl)pyrrolidine-2,3-dione;4-[hydroxy-(4-propan-2-ylphenyl)methylidene]-1-(6-oxo-1H-pyridazin-3-yl)-5-[4-(trifluoromethoxy)phenyl]pyrrolidine-2,3-dione;4-[hydroxy-[4-(trifluoromethoxy)phenyl]methylidene]-1-(6-methylpyridazin-3-yl)-5-[4-(1,2,4-triazol-1-ylmethyl)phenyl]pyrrolidine-2,3-dione is sourced from PubChem (CID 158037566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).