3-[3-[3-(diethylamino)propyl]indol-1-yl]-4-indol-1-ylpyrrole-2,5-dione

C27H28N4O2 — CID 139600187

IUPAC3-[3-[3-(diethylamino)propyl]indol-1-yl]-4-indol-1-ylpyrrole-2,5-dione
SMILESCCN(CC)CCCc1cn(C2=C(n3ccc4ccccc43)C(=O)NC2=O)c2ccccc12
InChIInChI=1S/C27H28N4O2/c1-3-29(4-2)16-9-11-20-18-31(23-14-8-6-12-21(20)23)25-24(26(32)28-27(25)33)30-17-15-19-10-5-7-13-22(19)30/h5-8,10,12-15,17-18H,3-4,9,11,16H2,1-2H3,(H,28,32,33)
InChIKeyGHIXKLDGWPXESB-UHFFFAOYSA-N
MW440.55 g/mol
LogP4.35
Rot. Bonds8

About 3-[3-[3-(diethylamino)propyl]indol-1-yl]-4-indol-1-ylpyrrole-2,5-dione

3-[3-[3-(diethylamino)propyl]indol-1-yl]-4-indol-1-ylpyrrole-2,5-dione (PubChem CID 139600187) has the molecular formula C27H28N4O2 and a molecular weight of 440.55 g/mol. Its IUPAC name is 3-[3-[3-(diethylamino)propyl]indol-1-yl]-4-indol-1-ylpyrrole-2,5-dione.

Molecular Properties

Compound Name3-[3-[3-(diethylamino)propyl]indol-1-yl]-4-indol-1-ylpyrrole-2,5-dione
PubChem CID139600187
Molecular FormulaC27H28N4O2
Molecular Weight440.55 g/mol
Exact Mass440.22
IUPAC Name3-[3-[3-(diethylamino)propyl]indol-1-yl]-4-indol-1-ylpyrrole-2,5-dione
SMILESCCN(CC)CCCc1cn(C2=C(n3ccc4ccccc43)C(=O)NC2=O)c2ccccc12
InChIInChI=1S/C27H28N4O2/c1-3-29(4-2)16-9-11-20-18-31(23-14-8-6-12-21(20)23)25-24(26(32)28-27(25)33)30-17-15-19-10-5-7-13-22(19)30/h5-8,10,12-15,17-18H,3-4,9,11,16H2,1-2H3,(H,28,32,33)
InChIKeyGHIXKLDGWPXESB-UHFFFAOYSA-N
XLogP4.35
TPSA59.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.55
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 3-[3-[3-(diethylamino)propyl]indol-1-yl]-4-indol-1-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-[3-[3-(diethylamino)propyl]indol-1-yl]-4-indol-1-ylpyrrole-2,5-dione?
The IUPAC name of 3-[3-[3-(diethylamino)propyl]indol-1-yl]-4-indol-1-ylpyrrole-2,5-dione (CID 139600187) is 3-[3-[3-(diethylamino)propyl]indol-1-yl]-4-indol-1-ylpyrrole-2,5-dione.
What is the SMILES notation for 3-[3-[3-(diethylamino)propyl]indol-1-yl]-4-indol-1-ylpyrrole-2,5-dione?
The canonical SMILES for 3-[3-[3-(diethylamino)propyl]indol-1-yl]-4-indol-1-ylpyrrole-2,5-dione is CCN(CC)CCCc1cn(C2=C(n3ccc4ccccc43)C(=O)NC2=O)c2ccccc12.
What is the InChIKey of 3-[3-[3-(diethylamino)propyl]indol-1-yl]-4-indol-1-ylpyrrole-2,5-dione?
The InChIKey is GHIXKLDGWPXESB-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28N4O2/c1-3-29(4-2)16-9-11-20-18-31(23-14-8-6-12-21(20)23)25-24(26(32)28-27(25)33)30-17-15-19-10-5-7-13-22(19)30/h5-8,10,12-15,17-18H,3-4,9,11,16H2,1-2H3,(H,28,32,33).
What are the key properties of 3-[3-[3-(diethylamino)propyl]indol-1-yl]-4-indol-1-ylpyrrole-2,5-dione?
3-[3-[3-(diethylamino)propyl]indol-1-yl]-4-indol-1-ylpyrrole-2,5-dione has a molecular weight of 440.55 g/mol, XLogP of 4.35, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[3-(diethylamino)propyl]indol-1-yl]-4-indol-1-ylpyrrole-2,5-dione is sourced from PubChem (CID 139600187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).