3-(5-bromo-1-methylindol-3-yl)-4-imidazo[1,2-a]pyridin-3-ylpyrrole-2,5-dione

C20H13BrN4O2 — CID 71735028

IUPAC3-(5-bromo-1-methylindol-3-yl)-4-imidazo[1,2-a]pyridin-3-ylpyrrole-2,5-dione
SMILESCn1cc(C2=C(c3cnc4ccccn34)C(=O)NC2=O)c2cc(Br)ccc21
InChIInChI=1S/C20H13BrN4O2/c1-24-10-13(12-8-11(21)5-6-14(12)24)17-18(20(27)23-19(17)26)15-9-22-16-4-2-3-7-25(15)16/h2-10H,1H3,(H,23,26,27)
InChIKeyYODSPXBTAHYILL-UHFFFAOYSA-N
MW421.25 g/mol
LogP3.16
Rot. Bonds2

About 3-(5-bromo-1-methylindol-3-yl)-4-imidazo[1,2-a]pyridin-3-ylpyrrole-2,5-dione

3-(5-bromo-1-methylindol-3-yl)-4-imidazo[1,2-a]pyridin-3-ylpyrrole-2,5-dione (PubChem CID 71735028) has the molecular formula C20H13BrN4O2 and a molecular weight of 421.25 g/mol. Its IUPAC name is 3-(5-bromo-1-methylindol-3-yl)-4-imidazo[1,2-a]pyridin-3-ylpyrrole-2,5-dione.

Molecular Properties

Compound Name3-(5-bromo-1-methylindol-3-yl)-4-imidazo[1,2-a]pyridin-3-ylpyrrole-2,5-dione
PubChem CID71735028
Molecular FormulaC20H13BrN4O2
Molecular Weight421.25 g/mol
Exact Mass420.02
IUPAC Name3-(5-bromo-1-methylindol-3-yl)-4-imidazo[1,2-a]pyridin-3-ylpyrrole-2,5-dione
SMILESCn1cc(C2=C(c3cnc4ccccn34)C(=O)NC2=O)c2cc(Br)ccc21
InChIInChI=1S/C20H13BrN4O2/c1-24-10-13(12-8-11(21)5-6-14(12)24)17-18(20(27)23-19(17)26)15-9-22-16-4-2-3-7-25(15)16/h2-10H,1H3,(H,23,26,27)
InChIKeyYODSPXBTAHYILL-UHFFFAOYSA-N
XLogP3.16
TPSA68.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.25
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 3-(5-bromo-1-methylindol-3-yl)-4-imidazo[1,2-a]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-(5-bromo-1-methylindol-3-yl)-4-imidazo[1,2-a]pyridin-3-ylpyrrole-2,5-dione?
The IUPAC name of 3-(5-bromo-1-methylindol-3-yl)-4-imidazo[1,2-a]pyridin-3-ylpyrrole-2,5-dione (CID 71735028) is 3-(5-bromo-1-methylindol-3-yl)-4-imidazo[1,2-a]pyridin-3-ylpyrrole-2,5-dione.
What is the SMILES notation for 3-(5-bromo-1-methylindol-3-yl)-4-imidazo[1,2-a]pyridin-3-ylpyrrole-2,5-dione?
The canonical SMILES for 3-(5-bromo-1-methylindol-3-yl)-4-imidazo[1,2-a]pyridin-3-ylpyrrole-2,5-dione is Cn1cc(C2=C(c3cnc4ccccn34)C(=O)NC2=O)c2cc(Br)ccc21.
What is the InChIKey of 3-(5-bromo-1-methylindol-3-yl)-4-imidazo[1,2-a]pyridin-3-ylpyrrole-2,5-dione?
The InChIKey is YODSPXBTAHYILL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13BrN4O2/c1-24-10-13(12-8-11(21)5-6-14(12)24)17-18(20(27)23-19(17)26)15-9-22-16-4-2-3-7-25(15)16/h2-10H,1H3,(H,23,26,27).
What are the key properties of 3-(5-bromo-1-methylindol-3-yl)-4-imidazo[1,2-a]pyridin-3-ylpyrrole-2,5-dione?
3-(5-bromo-1-methylindol-3-yl)-4-imidazo[1,2-a]pyridin-3-ylpyrrole-2,5-dione has a molecular weight of 421.25 g/mol, XLogP of 3.16, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-bromo-1-methylindol-3-yl)-4-imidazo[1,2-a]pyridin-3-ylpyrrole-2,5-dione is sourced from PubChem (CID 71735028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).