(4Z)-4-[hydroxy(pyridin-4-yl)methylidene]-1-phenyl-5-(4-phenylmethoxyphenyl)pyrrolidine-2,3-dione

C29H22N2O4 — CID 108702857

IUPAC(4Z)-4-[hydroxy(pyridin-4-yl)methylidene]-1-phenyl-5-(4-phenylmethoxyphenyl)pyrrolidine-2,3-dione
SMILESO=C1C(=O)N(c2ccccc2)C(c2ccc(OCc3ccccc3)cc2)/C1=C(/O)c1ccncc1
InChIInChI=1S/C29H22N2O4/c32-27(22-15-17-30-18-16-22)25-26(31(29(34)28(25)33)23-9-5-2-6-10-23)21-11-13-24(14-12-21)35-19-20-7-3-1-4-8-20/h1-18,26,32H,19H2/b27-25-
InChIKeyWJEMBZLKYVQODP-RFBIWTDZSA-N
MW462.51 g/mol
LogP5.29
Rot. Bonds6

About (4Z)-4-[hydroxy(pyridin-4-yl)methylidene]-1-phenyl-5-(4-phenylmethoxyphenyl)pyrrolidine-2,3-dione

(4Z)-4-[hydroxy(pyridin-4-yl)methylidene]-1-phenyl-5-(4-phenylmethoxyphenyl)pyrrolidine-2,3-dione (PubChem CID 108702857) has the molecular formula C29H22N2O4 and a molecular weight of 462.51 g/mol. Its IUPAC name is (4Z)-4-[hydroxy(pyridin-4-yl)methylidene]-1-phenyl-5-(4-phenylmethoxyphenyl)pyrrolidine-2,3-dione.

Molecular Properties

Compound Name(4Z)-4-[hydroxy(pyridin-4-yl)methylidene]-1-phenyl-5-(4-phenylmethoxyphenyl)pyrrolidine-2,3-dione
PubChem CID108702857
Molecular FormulaC29H22N2O4
Molecular Weight462.51 g/mol
Exact Mass462.16
IUPAC Name(4Z)-4-[hydroxy(pyridin-4-yl)methylidene]-1-phenyl-5-(4-phenylmethoxyphenyl)pyrrolidine-2,3-dione
SMILESO=C1C(=O)N(c2ccccc2)C(c2ccc(OCc3ccccc3)cc2)/C1=C(/O)c1ccncc1
InChIInChI=1S/C29H22N2O4/c32-27(22-15-17-30-18-16-22)25-26(31(29(34)28(25)33)23-9-5-2-6-10-23)21-11-13-24(14-12-21)35-19-20-7-3-1-4-8-20/h1-18,26,32H,19H2/b27-25-
InChIKeyWJEMBZLKYVQODP-RFBIWTDZSA-N
XLogP5.29
TPSA79.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500462.51
LogP ≤ 55.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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'}

Analyze (4Z)-4-[hydroxy(pyridin-4-yl)methylidene]-1-phenyl-5-(4-phenylmethoxyphenyl)pyrrolidine-2,3-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(4E)-1-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-4-[hydroxy(pyridin-4-yl)methylidene]-5-(4-phenylmethoxyphenyl)pyrrolidine-2,3-dione
CID 6295819
(4Z)-4-[(4-bromo-3-methylphenyl)-hydroxymethylidene]-1-phenyl-5-(4-phenylmethoxyphenyl)pyrrolidine-2,3-dione
CID 108702825
(4E)-4-[hydroxy(pyridin-4-yl)methylidene]-1-(6-methyl-1,3-benzothiazol-2-yl)-5-(4-phenylmethoxyphenyl)pyrrolidine-2,3-dione
CID 6296055
(4Z)-4-[hydroxy-(3-methyl-4-phenylmethoxyphenyl)methylidene]-1-(4-methoxyphenyl)-5-pyridin-4-ylpyrrolidine-2,3-dione
CID 108632910
(4Z)-5-(4-hydroxyphenyl)-4-[hydroxy(pyridin-4-yl)methylidene]-1-(4-methoxyphenyl)pyrrolidine-2,3-dione
CID 108582236
4-[hydroxy-(4-phenylmethoxyphenyl)methylidene]-1-(2-methoxyethyl)-5-pyridin-4-ylpyrrolidine-2,3-dione
CID 4038469
4-[hydroxy(pyridin-4-yl)methylidene]-1-(3-imidazol-1-ylpropyl)-5-(4-phenylmethoxyphenyl)pyrrolidine-2,3-dione
CID 5189957
(4E)-5-(4-ethoxyphenyl)-4-[hydroxy(phenyl)methylidene]-1-pyridin-3-ylpyrrolidine-2,3-dione
CID 5346688
4-[hydroxy(pyridin-4-yl)methylidene]-1-[5-[(4-methylphenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-5-(4-phenylmethoxyphenyl)pyrrolidine-2,3-dione
CID 5189049
1-[5-[(4-chlorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-4-[hydroxy(pyridin-4-yl)methylidene]-5-(4-phenylmethoxyphenyl)pyrrolidine-2,3-dione
CID 5189051
1-[5-[(2-fluorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-4-[hydroxy(pyridin-4-yl)methylidene]-5-(4-phenylmethoxyphenyl)pyrrolidine-2,3-dione
CID 5189052
(4Z)-4-[(4-chlorophenyl)-hydroxymethylidene]-1-phenyl-5-(3-phenylmethoxyphenyl)pyrrolidine-2,3-dione
CID 108712566

Frequently Asked Questions

What is the IUPAC name of (4Z)-4-[hydroxy(pyridin-4-yl)methylidene]-1-phenyl-5-(4-phenylmethoxyphenyl)pyrrolidine-2,3-dione?
The IUPAC name of (4Z)-4-[hydroxy(pyridin-4-yl)methylidene]-1-phenyl-5-(4-phenylmethoxyphenyl)pyrrolidine-2,3-dione (CID 108702857) is (4Z)-4-[hydroxy(pyridin-4-yl)methylidene]-1-phenyl-5-(4-phenylmethoxyphenyl)pyrrolidine-2,3-dione.
What is the SMILES notation for (4Z)-4-[hydroxy(pyridin-4-yl)methylidene]-1-phenyl-5-(4-phenylmethoxyphenyl)pyrrolidine-2,3-dione?
The canonical SMILES for (4Z)-4-[hydroxy(pyridin-4-yl)methylidene]-1-phenyl-5-(4-phenylmethoxyphenyl)pyrrolidine-2,3-dione is O=C1C(=O)N(c2ccccc2)C(c2ccc(OCc3ccccc3)cc2)/C1=C(/O)c1ccncc1.
What is the InChIKey of (4Z)-4-[hydroxy(pyridin-4-yl)methylidene]-1-phenyl-5-(4-phenylmethoxyphenyl)pyrrolidine-2,3-dione?
The InChIKey is WJEMBZLKYVQODP-RFBIWTDZSA-N. The full InChI is InChI=1S/C29H22N2O4/c32-27(22-15-17-30-18-16-22)25-26(31(29(34)28(25)33)23-9-5-2-6-10-23)21-11-13-24(14-12-21)35-19-20-7-3-1-4-8-20/h1-18,26,32H,19H2/b27-25-.
What are the key properties of (4Z)-4-[hydroxy(pyridin-4-yl)methylidene]-1-phenyl-5-(4-phenylmethoxyphenyl)pyrrolidine-2,3-dione?
(4Z)-4-[hydroxy(pyridin-4-yl)methylidene]-1-phenyl-5-(4-phenylmethoxyphenyl)pyrrolidine-2,3-dione has a molecular weight of 462.51 g/mol, XLogP of 5.29, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z)-4-[hydroxy(pyridin-4-yl)methylidene]-1-phenyl-5-(4-phenylmethoxyphenyl)pyrrolidine-2,3-dione is sourced from PubChem (CID 108702857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).