1-[1-[5-[3-(2-oxo-2-pyrrolidin-1-ylacetyl)indol-1-yl]pentyl]indol-3-yl]-2-pyrrolidin-1-ylethane-1,2-dione

C33H36N4O4 — CID 54585714

IUPAC1-[1-[5-[3-(2-oxo-2-pyrrolidin-1-ylacetyl)indol-1-yl]pentyl]indol-3-yl]-2-pyrrolidin-1-ylethane-1,2-dione
SMILESO=C(C(=O)N1CCCC1)c1cn(CCCCCn2cc(C(=O)C(=O)N3CCCC3)c3ccccc32)c2ccccc12
InChIInChI=1S/C33H36N4O4/c38-30(32(40)34-16-8-9-17-34)26-22-36(28-14-4-2-12-24(26)28)20-6-1-7-21-37-23-27(25-13-3-5-15-29(25)37)31(39)33(41)35-18-10-11-19-35/h2-5,12-15,22-23H,1,6-11,16-21H2
InChIKeyBGIDSVNDLSHCCP-UHFFFAOYSA-N
MW552.68 g/mol
LogP5.08
Rot. Bonds10

About 1-[1-[5-[3-(2-oxo-2-pyrrolidin-1-ylacetyl)indol-1-yl]pentyl]indol-3-yl]-2-pyrrolidin-1-ylethane-1,2-dione

1-[1-[5-[3-(2-oxo-2-pyrrolidin-1-ylacetyl)indol-1-yl]pentyl]indol-3-yl]-2-pyrrolidin-1-ylethane-1,2-dione (PubChem CID 54585714) has the molecular formula C33H36N4O4 and a molecular weight of 552.68 g/mol. Its IUPAC name is 1-[1-[5-[3-(2-oxo-2-pyrrolidin-1-ylacetyl)indol-1-yl]pentyl]indol-3-yl]-2-pyrrolidin-1-ylethane-1,2-dione.

Molecular Properties

Compound Name1-[1-[5-[3-(2-oxo-2-pyrrolidin-1-ylacetyl)indol-1-yl]pentyl]indol-3-yl]-2-pyrrolidin-1-ylethane-1,2-dione
PubChem CID54585714
Molecular FormulaC33H36N4O4
Molecular Weight552.68 g/mol
Exact Mass552.27
IUPAC Name1-[1-[5-[3-(2-oxo-2-pyrrolidin-1-ylacetyl)indol-1-yl]pentyl]indol-3-yl]-2-pyrrolidin-1-ylethane-1,2-dione
SMILESO=C(C(=O)N1CCCC1)c1cn(CCCCCn2cc(C(=O)C(=O)N3CCCC3)c3ccccc32)c2ccccc12
InChIInChI=1S/C33H36N4O4/c38-30(32(40)34-16-8-9-17-34)26-22-36(28-14-4-2-12-24(26)28)20-6-1-7-21-37-23-27(25-13-3-5-15-29(25)37)31(39)33(41)35-18-10-11-19-35/h2-5,12-15,22-23H,1,6-11,16-21H2
InChIKeyBGIDSVNDLSHCCP-UHFFFAOYSA-N
XLogP5.08
TPSA84.62 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500552.68
LogP ≤ 55.08
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-[5-[3-(2-oxo-2-pyrrolidin-1-ylacetyl)indol-1-yl]pentyl]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

Related Compounds

Bisindolylmaleimide VIII
CID 2403
2-(1H-indol-3-yl)-2-oxo-N-(2-phenylethyl)acetamide
CID 2176767
Jwh-167
CID 44397502
Ro 31-8830
CID 5084
Indole-3-glyoxylamide, N-isopropyl-1-methyl-
CID 41501
GR 94800
CID 5487475
N-(indol-3-ylglyoxylyl)benzylamine
CID 3149447
N-cyclohexyl-2-(1H-indol-3-yl)-2-oxoacetamide
CID 2068180
bisindolylmaleimide II
CID 2397
(S)-3-(8-((Dimethylamino)methyl)-6,7,8,9-tetrahydropyrido(1,2-a)indol-10-yl)-4-(1-methyl-1H-indol-3-yl)-1H-pyrrol-2,5-dione
CID 127757
(Arylindolyl)maleimide deriv. 13
CID 5327655
3-(1-methyl-1H-indol-3-yl)-4-(1-propyl-1H-indol-3-yl)-2,5-dihydro-1H-pyrrole-2,5-dione
CID 5327657

Frequently Asked Questions

What is the IUPAC name of 1-[1-[5-[3-(2-oxo-2-pyrrolidin-1-ylacetyl)indol-1-yl]pentyl]indol-3-yl]-2-pyrrolidin-1-ylethane-1,2-dione?
The IUPAC name of 1-[1-[5-[3-(2-oxo-2-pyrrolidin-1-ylacetyl)indol-1-yl]pentyl]indol-3-yl]-2-pyrrolidin-1-ylethane-1,2-dione (CID 54585714) is 1-[1-[5-[3-(2-oxo-2-pyrrolidin-1-ylacetyl)indol-1-yl]pentyl]indol-3-yl]-2-pyrrolidin-1-ylethane-1,2-dione.
What is the SMILES notation for 1-[1-[5-[3-(2-oxo-2-pyrrolidin-1-ylacetyl)indol-1-yl]pentyl]indol-3-yl]-2-pyrrolidin-1-ylethane-1,2-dione?
The canonical SMILES for 1-[1-[5-[3-(2-oxo-2-pyrrolidin-1-ylacetyl)indol-1-yl]pentyl]indol-3-yl]-2-pyrrolidin-1-ylethane-1,2-dione is O=C(C(=O)N1CCCC1)c1cn(CCCCCn2cc(C(=O)C(=O)N3CCCC3)c3ccccc32)c2ccccc12.
What is the InChIKey of 1-[1-[5-[3-(2-oxo-2-pyrrolidin-1-ylacetyl)indol-1-yl]pentyl]indol-3-yl]-2-pyrrolidin-1-ylethane-1,2-dione?
The InChIKey is BGIDSVNDLSHCCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H36N4O4/c38-30(32(40)34-16-8-9-17-34)26-22-36(28-14-4-2-12-24(26)28)20-6-1-7-21-37-23-27(25-13-3-5-15-29(25)37)31(39)33(41)35-18-10-11-19-35/h2-5,12-15,22-23H,1,6-11,16-21H2.
What are the key properties of 1-[1-[5-[3-(2-oxo-2-pyrrolidin-1-ylacetyl)indol-1-yl]pentyl]indol-3-yl]-2-pyrrolidin-1-ylethane-1,2-dione?
1-[1-[5-[3-(2-oxo-2-pyrrolidin-1-ylacetyl)indol-1-yl]pentyl]indol-3-yl]-2-pyrrolidin-1-ylethane-1,2-dione has a molecular weight of 552.68 g/mol, XLogP of 5.08, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[5-[3-(2-oxo-2-pyrrolidin-1-ylacetyl)indol-1-yl]pentyl]indol-3-yl]-2-pyrrolidin-1-ylethane-1,2-dione is sourced from PubChem (CID 54585714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).