3-(5-fluoro-1H-indol-3-yl)-1-[3-[4-(1H-indol-3-yl)piperidin-1-yl]propyl]pyrrolidine-2,5-dione

C28H29FN4O2 — CID 155534729

IUPAC3-(5-fluoro-1H-indol-3-yl)-1-[3-[4-(1H-indol-3-yl)piperidin-1-yl]propyl]pyrrolidine-2,5-dione
SMILESO=C1CC(c2c[nH]c3ccc(F)cc23)C(=O)N1CCCN1CCC(c2c[nH]c3ccccc23)CC1
InChIInChI=1S/C28H29FN4O2/c29-19-6-7-26-21(14-19)24(17-31-26)22-15-27(34)33(28(22)35)11-3-10-32-12-8-18(9-13-32)23-16-30-25-5-2-1-4-20(23)25/h1-2,4-7,14,16-18,22,30-31H,3,8-13,15H2
InChIKeyLGQDXOUYAXFXSM-UHFFFAOYSA-N
MW472.56 g/mol
LogP4.90
Rot. Bonds6

About 3-(5-fluoro-1H-indol-3-yl)-1-[3-[4-(1H-indol-3-yl)piperidin-1-yl]propyl]pyrrolidine-2,5-dione

3-(5-fluoro-1H-indol-3-yl)-1-[3-[4-(1H-indol-3-yl)piperidin-1-yl]propyl]pyrrolidine-2,5-dione (PubChem CID 155534729) has the molecular formula C28H29FN4O2 and a molecular weight of 472.56 g/mol. Its IUPAC name is 3-(5-fluoro-1H-indol-3-yl)-1-[3-[4-(1H-indol-3-yl)piperidin-1-yl]propyl]pyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-(5-fluoro-1H-indol-3-yl)-1-[3-[4-(1H-indol-3-yl)piperidin-1-yl]propyl]pyrrolidine-2,5-dione
PubChem CID155534729
Molecular FormulaC28H29FN4O2
Molecular Weight472.56 g/mol
Exact Mass472.23
IUPAC Name3-(5-fluoro-1H-indol-3-yl)-1-[3-[4-(1H-indol-3-yl)piperidin-1-yl]propyl]pyrrolidine-2,5-dione
SMILESO=C1CC(c2c[nH]c3ccc(F)cc23)C(=O)N1CCCN1CCC(c2c[nH]c3ccccc23)CC1
InChIInChI=1S/C28H29FN4O2/c29-19-6-7-26-21(14-19)24(17-31-26)22-15-27(34)33(28(22)35)11-3-10-32-12-8-18(9-13-32)23-16-30-25-5-2-1-4-20(23)25/h1-2,4-7,14,16-18,22,30-31H,3,8-13,15H2
InChIKeyLGQDXOUYAXFXSM-UHFFFAOYSA-N
XLogP4.90
TPSA72.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.56
LogP ≤ 54.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-(5-fluoro-1H-indol-3-yl)-1-[3-[4-(1H-indol-3-yl)piperidin-1-yl]propyl]pyrrolidine-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

Frequently Asked Questions

What is the IUPAC name of 3-(5-fluoro-1H-indol-3-yl)-1-[3-[4-(1H-indol-3-yl)piperidin-1-yl]propyl]pyrrolidine-2,5-dione?
The IUPAC name of 3-(5-fluoro-1H-indol-3-yl)-1-[3-[4-(1H-indol-3-yl)piperidin-1-yl]propyl]pyrrolidine-2,5-dione (CID 155534729) is 3-(5-fluoro-1H-indol-3-yl)-1-[3-[4-(1H-indol-3-yl)piperidin-1-yl]propyl]pyrrolidine-2,5-dione.
What is the SMILES notation for 3-(5-fluoro-1H-indol-3-yl)-1-[3-[4-(1H-indol-3-yl)piperidin-1-yl]propyl]pyrrolidine-2,5-dione?
The canonical SMILES for 3-(5-fluoro-1H-indol-3-yl)-1-[3-[4-(1H-indol-3-yl)piperidin-1-yl]propyl]pyrrolidine-2,5-dione is O=C1CC(c2c[nH]c3ccc(F)cc23)C(=O)N1CCCN1CCC(c2c[nH]c3ccccc23)CC1.
What is the InChIKey of 3-(5-fluoro-1H-indol-3-yl)-1-[3-[4-(1H-indol-3-yl)piperidin-1-yl]propyl]pyrrolidine-2,5-dione?
The InChIKey is LGQDXOUYAXFXSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H29FN4O2/c29-19-6-7-26-21(14-19)24(17-31-26)22-15-27(34)33(28(22)35)11-3-10-32-12-8-18(9-13-32)23-16-30-25-5-2-1-4-20(23)25/h1-2,4-7,14,16-18,22,30-31H,3,8-13,15H2.
What are the key properties of 3-(5-fluoro-1H-indol-3-yl)-1-[3-[4-(1H-indol-3-yl)piperidin-1-yl]propyl]pyrrolidine-2,5-dione?
3-(5-fluoro-1H-indol-3-yl)-1-[3-[4-(1H-indol-3-yl)piperidin-1-yl]propyl]pyrrolidine-2,5-dione has a molecular weight of 472.56 g/mol, XLogP of 4.90, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-fluoro-1H-indol-3-yl)-1-[3-[4-(1H-indol-3-yl)piperidin-1-yl]propyl]pyrrolidine-2,5-dione is sourced from PubChem (CID 155534729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).