3-[1-(2,3-dihydroxypropyl)-6-(dimethylamino)indol-3-yl]-4-(1H-indol-3-yl)pyrrole-2,5-dione

C25H24N4O4 — CID 22410165

IUPAC3-[1-(2,3-dihydroxypropyl)-6-(dimethylamino)indol-3-yl]-4-(1H-indol-3-yl)pyrrole-2,5-dione
SMILESCN(C)c1ccc2c(C3=C(c4c[nH]c5ccccc45)C(=O)NC3=O)cn(CC(O)CO)c2c1
InChIInChI=1S/C25H24N4O4/c1-28(2)14-7-8-17-19(12-29(21(17)9-14)11-15(31)13-30)23-22(24(32)27-25(23)33)18-10-26-20-6-4-3-5-16(18)20/h3-10,12,15,26,30-31H,11,13H2,1-2H3,(H,27,32,33)
InChIKeyKZKZHRDJIUDUSG-UHFFFAOYSA-N
MW444.49 g/mol
LogP2.11
Rot. Bonds6

About 3-[1-(2,3-dihydroxypropyl)-6-(dimethylamino)indol-3-yl]-4-(1H-indol-3-yl)pyrrole-2,5-dione

3-[1-(2,3-dihydroxypropyl)-6-(dimethylamino)indol-3-yl]-4-(1H-indol-3-yl)pyrrole-2,5-dione (PubChem CID 22410165) has the molecular formula C25H24N4O4 and a molecular weight of 444.49 g/mol. Its IUPAC name is 3-[1-(2,3-dihydroxypropyl)-6-(dimethylamino)indol-3-yl]-4-(1H-indol-3-yl)pyrrole-2,5-dione.

Molecular Properties

Compound Name3-[1-(2,3-dihydroxypropyl)-6-(dimethylamino)indol-3-yl]-4-(1H-indol-3-yl)pyrrole-2,5-dione
PubChem CID22410165
Molecular FormulaC25H24N4O4
Molecular Weight444.49 g/mol
Exact Mass444.18
IUPAC Name3-[1-(2,3-dihydroxypropyl)-6-(dimethylamino)indol-3-yl]-4-(1H-indol-3-yl)pyrrole-2,5-dione
SMILESCN(C)c1ccc2c(C3=C(c4c[nH]c5ccccc45)C(=O)NC3=O)cn(CC(O)CO)c2c1
InChIInChI=1S/C25H24N4O4/c1-28(2)14-7-8-17-19(12-29(21(17)9-14)11-15(31)13-30)23-22(24(32)27-25(23)33)18-10-26-20-6-4-3-5-16(18)20/h3-10,12,15,26,30-31H,11,13H2,1-2H3,(H,27,32,33)
InChIKeyKZKZHRDJIUDUSG-UHFFFAOYSA-N
XLogP2.11
TPSA110.59 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.49
LogP ≤ 52.11
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze 3-[1-(2,3-dihydroxypropyl)-6-(dimethylamino)indol-3-yl]-4-(1H-indol-3-yl)pyrrole-2,5-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

3-[1-(2,3-dihydroxypropyl)-6-(trifluoromethyl)indol-3-yl]-4-(1H-indol-3-yl)pyrrole-2,5-dione
CID 22409458
3-[6-(dimethylamino)-1-[3-(dimethylamino)-2-methoxypropyl]indol-3-yl]-4-(1H-indol-3-yl)pyrrole-2,5-dione
CID 22409888
3-[1-(2-hydroxy-3-piperidin-1-ylpropyl)-6-methylindol-3-yl]-4-(1H-indol-3-yl)pyrrole-2,5-dione
CID 22410230
3-[5-bromo-1-[3-(dimethylamino)-2-hydroxypropyl]indol-3-yl]-4-(1H-indol-3-yl)pyrrole-2,5-dione
CID 22409298
3-[1-(2,3-dihydroxypropyl)-4,5-dimethoxyindol-3-yl]-4-(1H-indol-3-yl)pyrrole-2,5-dione
CID 22409400
3-[1-(3-ethoxy-2-hydroxypropyl)-6-methoxyindol-3-yl]-4-(1H-indol-3-yl)pyrrole-2,5-dione
CID 22409750
3-[1-(2,3-dihydroxypropyl)-5,6-dimethoxyindol-3-yl]-4-(5,6-dimethoxy-1H-indol-3-yl)pyrrole-2,5-dione
CID 18947147
3-[6-fluoro-1-(3-hydroxypropyl)indol-3-yl]-4-(1H-indol-3-yl)pyrrole-2,5-dione
CID 22410487
3-[6-amino-1-[2-(dimethylamino)ethyl]indol-3-yl]-4-(1H-indol-3-yl)pyrrole-2,5-dione
CID 22410652
3-[1-[2-(dimethylamino)ethyl]-6-(trifluoromethyl)indol-3-yl]-4-(1H-indol-3-yl)pyrrole-2,5-dione
CID 22409890
3-[1-[3-(diethylamino)propyl]-6-hydroxyindol-3-yl]-4-(1H-indol-3-yl)pyrrole-2,5-dione
CID 22410556
3-[7-(dimethylamino)-1-(2-hydroxy-3-morpholin-4-ylpropyl)indol-3-yl]-4-(1H-indol-3-yl)pyrrole-2,5-dione
CID 22410318

Frequently Asked Questions

What is the IUPAC name of 3-[1-(2,3-dihydroxypropyl)-6-(dimethylamino)indol-3-yl]-4-(1H-indol-3-yl)pyrrole-2,5-dione?
The IUPAC name of 3-[1-(2,3-dihydroxypropyl)-6-(dimethylamino)indol-3-yl]-4-(1H-indol-3-yl)pyrrole-2,5-dione (CID 22410165) is 3-[1-(2,3-dihydroxypropyl)-6-(dimethylamino)indol-3-yl]-4-(1H-indol-3-yl)pyrrole-2,5-dione.
What is the SMILES notation for 3-[1-(2,3-dihydroxypropyl)-6-(dimethylamino)indol-3-yl]-4-(1H-indol-3-yl)pyrrole-2,5-dione?
The canonical SMILES for 3-[1-(2,3-dihydroxypropyl)-6-(dimethylamino)indol-3-yl]-4-(1H-indol-3-yl)pyrrole-2,5-dione is CN(C)c1ccc2c(C3=C(c4c[nH]c5ccccc45)C(=O)NC3=O)cn(CC(O)CO)c2c1.
What is the InChIKey of 3-[1-(2,3-dihydroxypropyl)-6-(dimethylamino)indol-3-yl]-4-(1H-indol-3-yl)pyrrole-2,5-dione?
The InChIKey is KZKZHRDJIUDUSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N4O4/c1-28(2)14-7-8-17-19(12-29(21(17)9-14)11-15(31)13-30)23-22(24(32)27-25(23)33)18-10-26-20-6-4-3-5-16(18)20/h3-10,12,15,26,30-31H,11,13H2,1-2H3,(H,27,32,33).
What are the key properties of 3-[1-(2,3-dihydroxypropyl)-6-(dimethylamino)indol-3-yl]-4-(1H-indol-3-yl)pyrrole-2,5-dione?
3-[1-(2,3-dihydroxypropyl)-6-(dimethylamino)indol-3-yl]-4-(1H-indol-3-yl)pyrrole-2,5-dione has a molecular weight of 444.49 g/mol, XLogP of 2.11, 6 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(2,3-dihydroxypropyl)-6-(dimethylamino)indol-3-yl]-4-(1H-indol-3-yl)pyrrole-2,5-dione is sourced from PubChem (CID 22410165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).