3-(1-butylindol-3-yl)-4-furo[2,3-b]pyridin-3-ylpyrrole-2,5-dione

C23H19N3O3 — CID 118704641

IUPAC3-(1-butylindol-3-yl)-4-furo[2,3-b]pyridin-3-ylpyrrole-2,5-dione
SMILESCCCCn1cc(C2=C(c3coc4ncccc34)C(=O)NC2=O)c2ccccc21
InChIInChI=1S/C23H19N3O3/c1-2-3-11-26-12-16(14-7-4-5-9-18(14)26)19-20(22(28)25-21(19)27)17-13-29-23-15(17)8-6-10-24-23/h4-10,12-13H,2-3,11H2,1H3,(H,25,27,28)
InChIKeyZIQXGYCUVWQDRT-UHFFFAOYSA-N
MW385.42 g/mol
LogP4.15
Rot. Bonds5

About 3-(1-butylindol-3-yl)-4-furo[2,3-b]pyridin-3-ylpyrrole-2,5-dione

3-(1-butylindol-3-yl)-4-furo[2,3-b]pyridin-3-ylpyrrole-2,5-dione (PubChem CID 118704641) has the molecular formula C23H19N3O3 and a molecular weight of 385.42 g/mol. Its IUPAC name is 3-(1-butylindol-3-yl)-4-furo[2,3-b]pyridin-3-ylpyrrole-2,5-dione.

Molecular Properties

Compound Name3-(1-butylindol-3-yl)-4-furo[2,3-b]pyridin-3-ylpyrrole-2,5-dione
PubChem CID118704641
Molecular FormulaC23H19N3O3
Molecular Weight385.42 g/mol
Exact Mass385.14
IUPAC Name3-(1-butylindol-3-yl)-4-furo[2,3-b]pyridin-3-ylpyrrole-2,5-dione
SMILESCCCCn1cc(C2=C(c3coc4ncccc34)C(=O)NC2=O)c2ccccc21
InChIInChI=1S/C23H19N3O3/c1-2-3-11-26-12-16(14-7-4-5-9-18(14)26)19-20(22(28)25-21(19)27)17-13-29-23-15(17)8-6-10-24-23/h4-10,12-13H,2-3,11H2,1H3,(H,25,27,28)
InChIKeyZIQXGYCUVWQDRT-UHFFFAOYSA-N
XLogP4.15
TPSA77.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.42
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 3-(1-butylindol-3-yl)-4-furo[2,3-b]pyridin-3-ylpyrrole-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-(1-butylindol-3-yl)-4-furo[2,3-b]pyridin-3-ylpyrrole-2,5-dione?
The IUPAC name of 3-(1-butylindol-3-yl)-4-furo[2,3-b]pyridin-3-ylpyrrole-2,5-dione (CID 118704641) is 3-(1-butylindol-3-yl)-4-furo[2,3-b]pyridin-3-ylpyrrole-2,5-dione.
What is the SMILES notation for 3-(1-butylindol-3-yl)-4-furo[2,3-b]pyridin-3-ylpyrrole-2,5-dione?
The canonical SMILES for 3-(1-butylindol-3-yl)-4-furo[2,3-b]pyridin-3-ylpyrrole-2,5-dione is CCCCn1cc(C2=C(c3coc4ncccc34)C(=O)NC2=O)c2ccccc21.
What is the InChIKey of 3-(1-butylindol-3-yl)-4-furo[2,3-b]pyridin-3-ylpyrrole-2,5-dione?
The InChIKey is ZIQXGYCUVWQDRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N3O3/c1-2-3-11-26-12-16(14-7-4-5-9-18(14)26)19-20(22(28)25-21(19)27)17-13-29-23-15(17)8-6-10-24-23/h4-10,12-13H,2-3,11H2,1H3,(H,25,27,28).
What are the key properties of 3-(1-butylindol-3-yl)-4-furo[2,3-b]pyridin-3-ylpyrrole-2,5-dione?
3-(1-butylindol-3-yl)-4-furo[2,3-b]pyridin-3-ylpyrrole-2,5-dione has a molecular weight of 385.42 g/mol, XLogP of 4.15, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-butylindol-3-yl)-4-furo[2,3-b]pyridin-3-ylpyrrole-2,5-dione is sourced from PubChem (CID 118704641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).