4-[hydroxy(pyridin-3-yl)methylidene]-1-[3-(1H-indol-3-yl)propyl]-5-(4-methylphenyl)pyrrolidine-2,3-dione

C28H25N3O3 — CID 159916063

IUPAC4-[hydroxy(pyridin-3-yl)methylidene]-1-[3-(1H-indol-3-yl)propyl]-5-(4-methylphenyl)pyrrolidine-2,3-dione
SMILESCc1ccc(C2C(=C(O)c3cccnc3)C(=O)C(=O)N2CCCc2c[nH]c3ccccc23)cc1
InChIInChI=1S/C28H25N3O3/c1-18-10-12-19(13-11-18)25-24(26(32)21-6-4-14-29-16-21)27(33)28(34)31(25)15-5-7-20-17-30-23-9-3-2-8-22(20)23/h2-4,6,8-14,16-17,25,30,32H,5,7,15H2,1H3
InChIKeyRRGZGLKRKIMNIT-UHFFFAOYSA-N
MW451.53 g/mol
LogP4.93
Rot. Bonds6

About 4-[hydroxy(pyridin-3-yl)methylidene]-1-[3-(1H-indol-3-yl)propyl]-5-(4-methylphenyl)pyrrolidine-2,3-dione

4-[hydroxy(pyridin-3-yl)methylidene]-1-[3-(1H-indol-3-yl)propyl]-5-(4-methylphenyl)pyrrolidine-2,3-dione (PubChem CID 159916063) has the molecular formula C28H25N3O3 and a molecular weight of 451.53 g/mol. Its IUPAC name is 4-[hydroxy(pyridin-3-yl)methylidene]-1-[3-(1H-indol-3-yl)propyl]-5-(4-methylphenyl)pyrrolidine-2,3-dione.

Molecular Properties

Compound Name4-[hydroxy(pyridin-3-yl)methylidene]-1-[3-(1H-indol-3-yl)propyl]-5-(4-methylphenyl)pyrrolidine-2,3-dione
PubChem CID159916063
Molecular FormulaC28H25N3O3
Molecular Weight451.53 g/mol
Exact Mass451.19
IUPAC Name4-[hydroxy(pyridin-3-yl)methylidene]-1-[3-(1H-indol-3-yl)propyl]-5-(4-methylphenyl)pyrrolidine-2,3-dione
SMILESCc1ccc(C2C(=C(O)c3cccnc3)C(=O)C(=O)N2CCCc2c[nH]c3ccccc23)cc1
InChIInChI=1S/C28H25N3O3/c1-18-10-12-19(13-11-18)25-24(26(32)21-6-4-14-29-16-21)27(33)28(34)31(25)15-5-7-20-17-30-23-9-3-2-8-22(20)23/h2-4,6,8-14,16-17,25,30,32H,5,7,15H2,1H3
InChIKeyRRGZGLKRKIMNIT-UHFFFAOYSA-N
XLogP4.93
TPSA86.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.53
LogP ≤ 54.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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 4-[hydroxy(pyridin-3-yl)methylidene]-1-[3-(1H-indol-3-yl)propyl]-5-(4-methylphenyl)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)-4-[hydroxy(pyridin-3-yl)methylidene]-1-[2-(6-methyl-1H-indol-3-yl)ethyl]-5-(4-methylphenyl)pyrrolidine-2,3-dione
CID 118231558
4-[(3E)-3-[hydroxy(pyridin-3-yl)methylidene]-1-[2-(1H-indol-3-yl)ethyl]-4,5-dioxopyrrolidin-2-yl]benzamide
CID 90671302
4-[3-[hydroxy(pyridin-3-yl)methylidene]-1-[2-(1H-indol-3-yl)ethyl]-4,5-dioxopyrrolidin-2-yl]-N-methylbenzamide
CID 153274900
(4Z)-5-(4-bromophenyl)-4-[hydroxy-(4-methylphenyl)methylidene]-1-[2-(1H-indol-3-yl)ethyl]pyrrolidine-2,3-dione
CID 17038178
(5R)-4-[(4-chlorophenyl)-hydroxymethylidene]-1-[2-(1H-indol-3-yl)ethyl]-5-(4-methylphenyl)pyrrolidine-2,3-dione
CID 1497556
(4Z)-4-[(4-chlorophenyl)-hydroxymethylidene]-1-[2-(1H-indol-3-yl)ethyl]-5-(4-methylphenyl)pyrrolidine-2,3-dione
CID 5299916
(5S)-5-(4-tert-butylphenyl)-4-[hydroxy-(4-methylphenyl)methylidene]-1-[2-(1H-indol-3-yl)ethyl]pyrrolidine-2,3-dione
CID 51439980
carbon dioxide;4-[hydroxy-(3-hydroxyphenyl)methylidene]-1-[2-(1H-indol-3-yl)ethyl]-5-(4-methylphenyl)pyrrolidine-2,3-dione
CID 176542615
(5S)-5-(4-ethoxyphenyl)-4-[hydroxy-(4-methylphenyl)methylidene]-1-[2-(1H-indol-3-yl)ethyl]pyrrolidine-2,3-dione
CID 1497505
(4Z)-4-[(4-ethoxyphenyl)-hydroxymethylidene]-1-[2-(1H-indol-3-yl)ethyl]-5-pyridin-3-ylpyrrolidine-2,3-dione
CID 17038474
(5R)-5-(3-bromophenyl)-4-[hydroxy-(4-methylphenyl)methylidene]-1-[2-(1H-indol-3-yl)ethyl]pyrrolidine-2,3-dione
CID 1497518
4-[hydroxy(phenyl)methylidene]-5-(4-methylphenyl)-1-(pyridin-3-ylmethyl)pyrrolidine-2,3-dione
CID 2879305

Frequently Asked Questions

What is the IUPAC name of 4-[hydroxy(pyridin-3-yl)methylidene]-1-[3-(1H-indol-3-yl)propyl]-5-(4-methylphenyl)pyrrolidine-2,3-dione?
The IUPAC name of 4-[hydroxy(pyridin-3-yl)methylidene]-1-[3-(1H-indol-3-yl)propyl]-5-(4-methylphenyl)pyrrolidine-2,3-dione (CID 159916063) is 4-[hydroxy(pyridin-3-yl)methylidene]-1-[3-(1H-indol-3-yl)propyl]-5-(4-methylphenyl)pyrrolidine-2,3-dione.
What is the SMILES notation for 4-[hydroxy(pyridin-3-yl)methylidene]-1-[3-(1H-indol-3-yl)propyl]-5-(4-methylphenyl)pyrrolidine-2,3-dione?
The canonical SMILES for 4-[hydroxy(pyridin-3-yl)methylidene]-1-[3-(1H-indol-3-yl)propyl]-5-(4-methylphenyl)pyrrolidine-2,3-dione is Cc1ccc(C2C(=C(O)c3cccnc3)C(=O)C(=O)N2CCCc2c[nH]c3ccccc23)cc1.
What is the InChIKey of 4-[hydroxy(pyridin-3-yl)methylidene]-1-[3-(1H-indol-3-yl)propyl]-5-(4-methylphenyl)pyrrolidine-2,3-dione?
The InChIKey is RRGZGLKRKIMNIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H25N3O3/c1-18-10-12-19(13-11-18)25-24(26(32)21-6-4-14-29-16-21)27(33)28(34)31(25)15-5-7-20-17-30-23-9-3-2-8-22(20)23/h2-4,6,8-14,16-17,25,30,32H,5,7,15H2,1H3.
What are the key properties of 4-[hydroxy(pyridin-3-yl)methylidene]-1-[3-(1H-indol-3-yl)propyl]-5-(4-methylphenyl)pyrrolidine-2,3-dione?
4-[hydroxy(pyridin-3-yl)methylidene]-1-[3-(1H-indol-3-yl)propyl]-5-(4-methylphenyl)pyrrolidine-2,3-dione has a molecular weight of 451.53 g/mol, XLogP of 4.93, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[hydroxy(pyridin-3-yl)methylidene]-1-[3-(1H-indol-3-yl)propyl]-5-(4-methylphenyl)pyrrolidine-2,3-dione is sourced from PubChem (CID 159916063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).