3-(6-bromo-1H-indol-3-yl)-5-(1H-indol-3-yl)piperazin-2-one

C20H17BrN4O — CID 85275839

IUPAC3-(6-bromo-1H-indol-3-yl)-5-(1H-indol-3-yl)piperazin-2-one
SMILESO=C1NCC(c2c[nH]c3ccccc23)NC1c1c[nH]c2cc(Br)ccc12
InChIInChI=1S/C20H17BrN4O/c21-11-5-6-13-15(9-23-17(13)7-11)19-20(26)24-10-18(25-19)14-8-22-16-4-2-1-3-12(14)16/h1-9,18-19,22-23,25H,10H2,(H,24,26)
InChIKeyLQTWCUFHWBBBGT-UHFFFAOYSA-N
MW409.29 g/mol
LogP3.91
Rot. Bonds2

About 3-(6-bromo-1H-indol-3-yl)-5-(1H-indol-3-yl)piperazin-2-one

3-(6-bromo-1H-indol-3-yl)-5-(1H-indol-3-yl)piperazin-2-one (PubChem CID 85275839) has the molecular formula C20H17BrN4O and a molecular weight of 409.29 g/mol. Its IUPAC name is 3-(6-bromo-1H-indol-3-yl)-5-(1H-indol-3-yl)piperazin-2-one.

Molecular Properties

Compound Name3-(6-bromo-1H-indol-3-yl)-5-(1H-indol-3-yl)piperazin-2-one
PubChem CID85275839
Molecular FormulaC20H17BrN4O
Molecular Weight409.29 g/mol
Exact Mass408.06
IUPAC Name3-(6-bromo-1H-indol-3-yl)-5-(1H-indol-3-yl)piperazin-2-one
SMILESO=C1NCC(c2c[nH]c3ccccc23)NC1c1c[nH]c2cc(Br)ccc12
InChIInChI=1S/C20H17BrN4O/c21-11-5-6-13-15(9-23-17(13)7-11)19-20(26)24-10-18(25-19)14-8-22-16-4-2-1-3-12(14)16/h1-9,18-19,22-23,25H,10H2,(H,24,26)
InChIKeyLQTWCUFHWBBBGT-UHFFFAOYSA-N
XLogP3.91
TPSA72.71 Ų
H-Bond Donors4
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.29
LogP ≤ 53.91
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 102

Analyze 3-(6-bromo-1H-indol-3-yl)-5-(1H-indol-3-yl)piperazin-2-one 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-(6-bromo-1H-indol-3-yl)-5-(1H-indol-3-yl)piperazin-2-one?
The IUPAC name of 3-(6-bromo-1H-indol-3-yl)-5-(1H-indol-3-yl)piperazin-2-one (CID 85275839) is 3-(6-bromo-1H-indol-3-yl)-5-(1H-indol-3-yl)piperazin-2-one.
What is the SMILES notation for 3-(6-bromo-1H-indol-3-yl)-5-(1H-indol-3-yl)piperazin-2-one?
The canonical SMILES for 3-(6-bromo-1H-indol-3-yl)-5-(1H-indol-3-yl)piperazin-2-one is O=C1NCC(c2c[nH]c3ccccc23)NC1c1c[nH]c2cc(Br)ccc12.
What is the InChIKey of 3-(6-bromo-1H-indol-3-yl)-5-(1H-indol-3-yl)piperazin-2-one?
The InChIKey is LQTWCUFHWBBBGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17BrN4O/c21-11-5-6-13-15(9-23-17(13)7-11)19-20(26)24-10-18(25-19)14-8-22-16-4-2-1-3-12(14)16/h1-9,18-19,22-23,25H,10H2,(H,24,26).
What are the key properties of 3-(6-bromo-1H-indol-3-yl)-5-(1H-indol-3-yl)piperazin-2-one?
3-(6-bromo-1H-indol-3-yl)-5-(1H-indol-3-yl)piperazin-2-one has a molecular weight of 409.29 g/mol, XLogP of 3.91, 2 rotatable bonds, 4 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-bromo-1H-indol-3-yl)-5-(1H-indol-3-yl)piperazin-2-one is sourced from PubChem (CID 85275839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).