1-[1-[6-[3-(2-oxo-2-pyrrolidin-1-ylacetyl)indol-1-yl]hexyl]indol-3-yl]-2-pyrrolidin-1-ylethane-1,2-dione

C34H38N4O4 — CID 54580817

IUPAC1-[1-[6-[3-(2-oxo-2-pyrrolidin-1-ylacetyl)indol-1-yl]hexyl]indol-3-yl]-2-pyrrolidin-1-ylethane-1,2-dione
SMILESO=C(C(=O)N1CCCC1)c1cn(CCCCCCn2cc(C(=O)C(=O)N3CCCC3)c3ccccc32)c2ccccc12
InChIInChI=1S/C34H38N4O4/c39-31(33(41)35-17-9-10-18-35)27-23-37(29-15-5-3-13-25(27)29)21-7-1-2-8-22-38-24-28(26-14-4-6-16-30(26)38)32(40)34(42)36-19-11-12-20-36/h3-6,13-16,23-24H,1-2,7-12,17-22H2
InChIKeyXLINOMUQRNXCOK-UHFFFAOYSA-N
MW566.70 g/mol
LogP5.47
Rot. Bonds11

About 1-[1-[6-[3-(2-oxo-2-pyrrolidin-1-ylacetyl)indol-1-yl]hexyl]indol-3-yl]-2-pyrrolidin-1-ylethane-1,2-dione

1-[1-[6-[3-(2-oxo-2-pyrrolidin-1-ylacetyl)indol-1-yl]hexyl]indol-3-yl]-2-pyrrolidin-1-ylethane-1,2-dione (PubChem CID 54580817) has the molecular formula C34H38N4O4 and a molecular weight of 566.70 g/mol. Its IUPAC name is 1-[1-[6-[3-(2-oxo-2-pyrrolidin-1-ylacetyl)indol-1-yl]hexyl]indol-3-yl]-2-pyrrolidin-1-ylethane-1,2-dione.

Molecular Properties

Compound Name1-[1-[6-[3-(2-oxo-2-pyrrolidin-1-ylacetyl)indol-1-yl]hexyl]indol-3-yl]-2-pyrrolidin-1-ylethane-1,2-dione
PubChem CID54580817
Molecular FormulaC34H38N4O4
Molecular Weight566.70 g/mol
Exact Mass566.29
IUPAC Name1-[1-[6-[3-(2-oxo-2-pyrrolidin-1-ylacetyl)indol-1-yl]hexyl]indol-3-yl]-2-pyrrolidin-1-ylethane-1,2-dione
SMILESO=C(C(=O)N1CCCC1)c1cn(CCCCCCn2cc(C(=O)C(=O)N3CCCC3)c3ccccc32)c2ccccc12
InChIInChI=1S/C34H38N4O4/c39-31(33(41)35-17-9-10-18-35)27-23-37(29-15-5-3-13-25(27)29)21-7-1-2-8-22-38-24-28(26-14-4-6-16-30(26)38)32(40)34(42)36-19-11-12-20-36/h3-6,13-16,23-24H,1-2,7-12,17-22H2
InChIKeyXLINOMUQRNXCOK-UHFFFAOYSA-N
XLogP5.47
TPSA84.62 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500566.70
LogP ≤ 55.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 1-[1-[6-[3-(2-oxo-2-pyrrolidin-1-ylacetyl)indol-1-yl]hexyl]indol-3-yl]-2-pyrrolidin-1-ylethane-1,2-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 1-[1-[6-[3-(2-oxo-2-pyrrolidin-1-ylacetyl)indol-1-yl]hexyl]indol-3-yl]-2-pyrrolidin-1-ylethane-1,2-dione?
The IUPAC name of 1-[1-[6-[3-(2-oxo-2-pyrrolidin-1-ylacetyl)indol-1-yl]hexyl]indol-3-yl]-2-pyrrolidin-1-ylethane-1,2-dione (CID 54580817) is 1-[1-[6-[3-(2-oxo-2-pyrrolidin-1-ylacetyl)indol-1-yl]hexyl]indol-3-yl]-2-pyrrolidin-1-ylethane-1,2-dione.
What is the SMILES notation for 1-[1-[6-[3-(2-oxo-2-pyrrolidin-1-ylacetyl)indol-1-yl]hexyl]indol-3-yl]-2-pyrrolidin-1-ylethane-1,2-dione?
The canonical SMILES for 1-[1-[6-[3-(2-oxo-2-pyrrolidin-1-ylacetyl)indol-1-yl]hexyl]indol-3-yl]-2-pyrrolidin-1-ylethane-1,2-dione is O=C(C(=O)N1CCCC1)c1cn(CCCCCCn2cc(C(=O)C(=O)N3CCCC3)c3ccccc32)c2ccccc12.
What is the InChIKey of 1-[1-[6-[3-(2-oxo-2-pyrrolidin-1-ylacetyl)indol-1-yl]hexyl]indol-3-yl]-2-pyrrolidin-1-ylethane-1,2-dione?
The InChIKey is XLINOMUQRNXCOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H38N4O4/c39-31(33(41)35-17-9-10-18-35)27-23-37(29-15-5-3-13-25(27)29)21-7-1-2-8-22-38-24-28(26-14-4-6-16-30(26)38)32(40)34(42)36-19-11-12-20-36/h3-6,13-16,23-24H,1-2,7-12,17-22H2.
What are the key properties of 1-[1-[6-[3-(2-oxo-2-pyrrolidin-1-ylacetyl)indol-1-yl]hexyl]indol-3-yl]-2-pyrrolidin-1-ylethane-1,2-dione?
1-[1-[6-[3-(2-oxo-2-pyrrolidin-1-ylacetyl)indol-1-yl]hexyl]indol-3-yl]-2-pyrrolidin-1-ylethane-1,2-dione has a molecular weight of 566.70 g/mol, XLogP of 5.47, 11 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[6-[3-(2-oxo-2-pyrrolidin-1-ylacetyl)indol-1-yl]hexyl]indol-3-yl]-2-pyrrolidin-1-ylethane-1,2-dione is sourced from PubChem (CID 54580817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).