5-[4-(2-hydroxyacetyl)phenyl]-4-[hydroxy-(3-hydroxyphenyl)methylidene]-1-[2-(1H-indol-3-yl)ethyl]pyrrolidine-2,3-dione;5-[4-(2-hydroxyacetyl)phenyl]-4-[hydroxy(pyridin-3-yl)methylidene]-1-[2-(6-methyl-1H-indol-3-yl)ethyl]pyrrolidine-2,3-dione;methyl 4-[3-acetyl-4-hydroxy-1-[2-(2-methyl-1H-indol-3-yl)ethyl]-5-oxo-2H-pyrrol-2-yl]benzoate

C₈₃H₇₃N₇O₁₆ — CID 159412584

About 5-[4-(2-hydroxyacetyl)phenyl]-4-[hydroxy-(3-hydroxyphenyl)methylidene]-1-[2-(1H-indol-3-yl)ethyl]pyrrolidine-2,3-dione;5-[4-(2-hydroxyacetyl)phenyl]-4-[hydroxy(pyridin-3-yl)methylidene]-1-[2-(6-methyl-1H-indol-3-yl)ethyl]pyrrolidine-2,3-dione;methyl 4-[3-acetyl-4-hydroxy-1-[2-(2-methyl-1H-indol-3-yl)ethyl]-5-oxo-2H-pyrrol-2-yl]benzoate

5-[4-(2-hydroxyacetyl)phenyl]-4-[hydroxy-(3-hydroxyphenyl)methylidene]-1-[2-(1H-indol-3-yl)ethyl]pyrrolidine-2,3-dione;5-[4-(2-hydroxyacetyl)phenyl]-4-[hydroxy(pyridin-3-yl)methylidene]-1-[2-(6-methyl-1H-indol-3-yl)ethyl]pyrrolidine-2,3-dione;methyl 4-[3-acetyl-4-hydroxy-1-[2-(2-methyl-1H-indol-3-yl)ethyl]-5-oxo-2H-pyrrol-2-yl]benzoate (PubChem CID 159412584) has the molecular formula C₈₃H₇₃N₇O₁₆ and a molecular weight of 1424.53 g/mol. Its IUPAC name is 5-[4-(2-hydroxyacetyl)phenyl]-4-[hydroxy-(3-hydroxyphenyl)methylidene]-1-[2-(1H-indol-3-yl)ethyl]pyrrolidine-2,3-dione;5-[4-(2-hydroxyacetyl)phenyl]-4-[hydroxy(pyridin-3-yl)methylidene]-1-[2-(6-methyl-1H-indol-3-yl)ethyl]pyrrolidine-2,3-dione;methyl 4-[3-acetyl-4-hydroxy-1-[2-(2-methyl-1H-indol-3-yl)ethyl]-5-oxo-2H-pyrrol-2-yl]benzoate.

Molecular Properties

• Compound Name: 5-[4-(2-hydroxyacetyl)phenyl]-4-[hydroxy-(3-hydroxyphenyl)methylidene]-1-[2-(1H-indol-3-yl)ethyl]pyrrolidine-2,3-dione;5-[4-(2-hydroxyacetyl)phenyl]-4-[hydroxy(pyridin-3-yl)methylidene]-1-[2-(6-methyl-1H-indol-3-yl)ethyl]pyrrolidine-2,3-dione;methyl 4-[3-acetyl-4-hydroxy-1-[2-(2-methyl-1H-indol-3-yl)ethyl]-5-oxo-2H-pyrrol-2-yl]benzoate
• PubChem CID: 159412584
• Molecular Formula: C₈₃H₇₃N₇O₁₆
• Molecular Weight: 1424.53 g/mol
• Exact Mass: 1423.51
• IUPAC Name: 5-[4-(2-hydroxyacetyl)phenyl]-4-[hydroxy-(3-hydroxyphenyl)methylidene]-1-[2-(1H-indol-3-yl)ethyl]pyrrolidine-2,3-dione;5-[4-(2-hydroxyacetyl)phenyl]-4-[hydroxy(pyridin-3-yl)methylidene]-1-[2-(6-methyl-1H-indol-3-yl)ethyl]pyrrolidine-2,3-dione;methyl 4-[3-acetyl-4-hydroxy-1-[2-(2-methyl-1H-indol-3-yl)ethyl]-5-oxo-2H-pyrrol-2-yl]benzoate
• SMILES: COC(=O)c1ccc(C2C(C(C)=O)=C(O)C(=O)N2CCc2c(C)[nH]c3ccccc23)cc1.Cc1ccc2c(CCN3C(=O)C(=O)C(=C(O)c4cccnc4)C3c3ccc(C(=O)CO)cc3)c[nH]c2c1.O=C1C(=O)N(CCc2c[nH]c3ccccc23)C(c2ccc(C(=O)CO)cc2)C1=C(O)c1cccc(O)c1
• InChI: InChI=1S/C29H25N3O5.C29H24N2O6.C25H24N2O5/c1-17-4-9-22-20(15-31-23(22)13-17)10-12-32-26(19-7-5-18(6-8-19)24(34)16-33)25(28(36)29(32)37)27(35)21-3-2-11-30-14-21;32-16-24(34)17-8-10-18(11-9-17)26-25(27(35)19-4-3-5-21(33)14-19)28(36)29(37)31(26)13-12-20-15-30-23-7-2-1-6-22(20)23;1-14-18(19-6-4-5-7-20(19)26-14)12-13-27-22(21(15(2)28)23(29)24(27)30)16-8-10-17(11-9-16)25(31)32-3/h2-9,11,13-15,26,31,33,35H,10,12,16H2,1H3;1-11,14-15,26,30,32-33,35H,12-13,16H2;4-11,22,26,29H,12-13H2,1-3H3
• InChIKey: TVORISHEFDBIID-UHFFFAOYSA-N
• XLogP: 11.21
• TPSA: 354.22 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 17
• Rotatable Bonds: 20
• Heavy Atoms: 106
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1424.53
LogP ≤ 5	11.21
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	17

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}, {'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-(2-hydroxyacetyl)phenyl]-4-[hydroxy-(3-hydroxyphenyl)methylidene]-1-[2-(1H-indol-3-yl)ethyl]pyrrolidine-2,3-dione;5-[4-(2-hydroxyacetyl)phenyl]-4-[hydroxy(pyridin-3-yl)methylidene]-1-[2-(6-methyl-1H-indol-3-yl)ethyl]pyrrolidine-2,3-dione;methyl 4-[3-acetyl-4-hydroxy-1-[2-(2-methyl-1H-indol-3-yl)ethyl]-5-oxo-2H-pyrrol-2-yl]benzoate?

The IUPAC name of 5-[4-(2-hydroxyacetyl)phenyl]-4-[hydroxy-(3-hydroxyphenyl)methylidene]-1-[2-(1H-indol-3-yl)ethyl]pyrrolidine-2,3-dione;5-[4-(2-hydroxyacetyl)phenyl]-4-[hydroxy(pyridin-3-yl)methylidene]-1-[2-(6-methyl-1H-indol-3-yl)ethyl]pyrrolidine-2,3-dione;methyl 4-[3-acetyl-4-hydroxy-1-[2-(2-methyl-1H-indol-3-yl)ethyl]-5-oxo-2H-pyrrol-2-yl]benzoate (CID 159412584) is 5-[4-(2-hydroxyacetyl)phenyl]-4-[hydroxy-(3-hydroxyphenyl)methylidene]-1-[2-(1H-indol-3-yl)ethyl]pyrrolidine-2,3-dione;5-[4-(2-hydroxyacetyl)phenyl]-4-[hydroxy(pyridin-3-yl)methylidene]-1-[2-(6-methyl-1H-indol-3-yl)ethyl]pyrrolidine-2,3-dione;methyl 4-[3-acetyl-4-hydroxy-1-[2-(2-methyl-1H-indol-3-yl)ethyl]-5-oxo-2H-pyrrol-2-yl]benzoate.

What is the SMILES notation for 5-[4-(2-hydroxyacetyl)phenyl]-4-[hydroxy-(3-hydroxyphenyl)methylidene]-1-[2-(1H-indol-3-yl)ethyl]pyrrolidine-2,3-dione;5-[4-(2-hydroxyacetyl)phenyl]-4-[hydroxy(pyridin-3-yl)methylidene]-1-[2-(6-methyl-1H-indol-3-yl)ethyl]pyrrolidine-2,3-dione;methyl 4-[3-acetyl-4-hydroxy-1-[2-(2-methyl-1H-indol-3-yl)ethyl]-5-oxo-2H-pyrrol-2-yl]benzoate?

The canonical SMILES for 5-[4-(2-hydroxyacetyl)phenyl]-4-[hydroxy-(3-hydroxyphenyl)methylidene]-1-[2-(1H-indol-3-yl)ethyl]pyrrolidine-2,3-dione;5-[4-(2-hydroxyacetyl)phenyl]-4-[hydroxy(pyridin-3-yl)methylidene]-1-[2-(6-methyl-1H-indol-3-yl)ethyl]pyrrolidine-2,3-dione;methyl 4-[3-acetyl-4-hydroxy-1-[2-(2-methyl-1H-indol-3-yl)ethyl]-5-oxo-2H-pyrrol-2-yl]benzoate is COC(=O)c1ccc(C2C(C(C)=O)=C(O)C(=O)N2CCc2c(C)[nH]c3ccccc23)cc1.Cc1ccc2c(CCN3C(=O)C(=O)C(=C(O)c4cccnc4)C3c3ccc(C(=O)CO)cc3)c[nH]c2c1.O=C1C(=O)N(CCc2c[nH]c3ccccc23)C(c2ccc(C(=O)CO)cc2)C1=C(O)c1cccc(O)c1.

What is the InChIKey of 5-[4-(2-hydroxyacetyl)phenyl]-4-[hydroxy-(3-hydroxyphenyl)methylidene]-1-[2-(1H-indol-3-yl)ethyl]pyrrolidine-2,3-dione;5-[4-(2-hydroxyacetyl)phenyl]-4-[hydroxy(pyridin-3-yl)methylidene]-1-[2-(6-methyl-1H-indol-3-yl)ethyl]pyrrolidine-2,3-dione;methyl 4-[3-acetyl-4-hydroxy-1-[2-(2-methyl-1H-indol-3-yl)ethyl]-5-oxo-2H-pyrrol-2-yl]benzoate?

The InChIKey is TVORISHEFDBIID-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H25N3O5.C29H24N2O6.C25H24N2O5/c1-17-4-9-22-20(15-31-23(22)13-17)10-12-32-26(19-7-5-18(6-8-19)24(34)16-33)25(28(36)29(32)37)27(35)21-3-2-11-30-14-21;32-16-24(34)17-8-10-18(11-9-17)26-25(27(35)19-4-3-5-21(33)14-19)28(36)29(37)31(26)13-12-20-15-30-23-7-2-1-6-22(20)23;1-14-18(19-6-4-5-7-20(19)26-14)12-13-27-22(21(15(2)28)23(29)24(27)30)16-8-10-17(11-9-16)25(31)32-3/h2-9,11,13-15,26,31,33,35H,10,12,16H2,1H3;1-11,14-15,26,30,32-33,35H,12-13,16H2;4-11,22,26,29H,12-13H2,1-3H3.

What are the key properties of 5-[4-(2-hydroxyacetyl)phenyl]-4-[hydroxy-(3-hydroxyphenyl)methylidene]-1-[2-(1H-indol-3-yl)ethyl]pyrrolidine-2,3-dione;5-[4-(2-hydroxyacetyl)phenyl]-4-[hydroxy(pyridin-3-yl)methylidene]-1-[2-(6-methyl-1H-indol-3-yl)ethyl]pyrrolidine-2,3-dione;methyl 4-[3-acetyl-4-hydroxy-1-[2-(2-methyl-1H-indol-3-yl)ethyl]-5-oxo-2H-pyrrol-2-yl]benzoate?

5-[4-(2-hydroxyacetyl)phenyl]-4-[hydroxy-(3-hydroxyphenyl)methylidene]-1-[2-(1H-indol-3-yl)ethyl]pyrrolidine-2,3-dione;5-[4-(2-hydroxyacetyl)phenyl]-4-[hydroxy(pyridin-3-yl)methylidene]-1-[2-(6-methyl-1H-indol-3-yl)ethyl]pyrrolidine-2,3-dione;methyl 4-[3-acetyl-4-hydroxy-1-[2-(2-methyl-1H-indol-3-yl)ethyl]-5-oxo-2H-pyrrol-2-yl]benzoate has a molecular weight of 1424.53 g/mol, XLogP of 11.21, 20 rotatable bonds, 9 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[4-(2-hydroxyacetyl)phenyl]-4-[hydroxy-(3-hydroxyphenyl)methylidene]-1-[2-(1H-indol-3-yl)ethyl]pyrrolidine-2,3-dione;5-[4-(2-hydroxyacetyl)phenyl]-4-[hydroxy(pyridin-3-yl)methylidene]-1-[2-(6-methyl-1H-indol-3-yl)ethyl]pyrrolidine-2,3-dione;methyl 4-[3-acetyl-4-hydroxy-1-[2-(2-methyl-1H-indol-3-yl)ethyl]-5-oxo-2H-pyrrol-2-yl]benzoate is sourced from PubChem (CID 159412584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 159412584 — identifiers, structure, computed properties (public domain)

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