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

C28H28F2N4O2 — CID 155534331

IUPAC3-(5-fluoro-1H-indol-3-yl)-1-[3-[4-(5-fluoro-1H-indol-3-yl)piperidin-1-yl]propyl]pyrrolidine-2,5-dione
SMILESO=C1CC(c2c[nH]c3ccc(F)cc23)C(=O)N1CCCN1CCC(c2c[nH]c3ccc(F)cc23)CC1
InChIInChI=1S/C28H28F2N4O2/c29-18-2-4-25-20(12-18)23(15-31-25)17-6-10-33(11-7-17)8-1-9-34-27(35)14-22(28(34)36)24-16-32-26-5-3-19(30)13-21(24)26/h2-5,12-13,15-17,22,31-32H,1,6-11,14H2
InChIKeyZLXDHMZRGGRDJS-UHFFFAOYSA-N
MW490.55 g/mol
LogP5.04
Rot. Bonds6

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

3-(5-fluoro-1H-indol-3-yl)-1-[3-[4-(5-fluoro-1H-indol-3-yl)piperidin-1-yl]propyl]pyrrolidine-2,5-dione (PubChem CID 155534331) has the molecular formula C28H28F2N4O2 and a molecular weight of 490.55 g/mol. Its IUPAC name is 3-(5-fluoro-1H-indol-3-yl)-1-[3-[4-(5-fluoro-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-(5-fluoro-1H-indol-3-yl)piperidin-1-yl]propyl]pyrrolidine-2,5-dione
PubChem CID155534331
Molecular FormulaC28H28F2N4O2
Molecular Weight490.55 g/mol
Exact Mass490.22
IUPAC Name3-(5-fluoro-1H-indol-3-yl)-1-[3-[4-(5-fluoro-1H-indol-3-yl)piperidin-1-yl]propyl]pyrrolidine-2,5-dione
SMILESO=C1CC(c2c[nH]c3ccc(F)cc23)C(=O)N1CCCN1CCC(c2c[nH]c3ccc(F)cc23)CC1
InChIInChI=1S/C28H28F2N4O2/c29-18-2-4-25-20(12-18)23(15-31-25)17-6-10-33(11-7-17)8-1-9-34-27(35)14-22(28(34)36)24-16-32-26-5-3-19(30)13-21(24)26/h2-5,12-13,15-17,22,31-32H,1,6-11,14H2
InChIKeyZLXDHMZRGGRDJS-UHFFFAOYSA-N
XLogP5.04
TPSA72.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500490.55
LogP ≤ 55.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(5-fluoro-1H-indol-3-yl)-1-[3-[4-(5-fluoro-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-(5-fluoro-1H-indol-3-yl)piperidin-1-yl]propyl]pyrrolidine-2,5-dione (CID 155534331) is 3-(5-fluoro-1H-indol-3-yl)-1-[3-[4-(5-fluoro-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-(5-fluoro-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-(5-fluoro-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]c3ccc(F)cc23)CC1.
What is the InChIKey of 3-(5-fluoro-1H-indol-3-yl)-1-[3-[4-(5-fluoro-1H-indol-3-yl)piperidin-1-yl]propyl]pyrrolidine-2,5-dione?
The InChIKey is ZLXDHMZRGGRDJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H28F2N4O2/c29-18-2-4-25-20(12-18)23(15-31-25)17-6-10-33(11-7-17)8-1-9-34-27(35)14-22(28(34)36)24-16-32-26-5-3-19(30)13-21(24)26/h2-5,12-13,15-17,22,31-32H,1,6-11,14H2.
What are the key properties of 3-(5-fluoro-1H-indol-3-yl)-1-[3-[4-(5-fluoro-1H-indol-3-yl)piperidin-1-yl]propyl]pyrrolidine-2,5-dione?
3-(5-fluoro-1H-indol-3-yl)-1-[3-[4-(5-fluoro-1H-indol-3-yl)piperidin-1-yl]propyl]pyrrolidine-2,5-dione has a molecular weight of 490.55 g/mol, XLogP of 5.04, 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-(5-fluoro-1H-indol-3-yl)piperidin-1-yl]propyl]pyrrolidine-2,5-dione is sourced from PubChem (CID 155534331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).