3-[6-bromo-2-(1-chloroethyl)imidazo[4,5-b]pyridin-3-yl]piperidine-2,6-dione

C13H12BrClN4O2 — CID 79279739

IUPAC3-[6-bromo-2-(1-chloroethyl)imidazo[4,5-b]pyridin-3-yl]piperidine-2,6-dione
SMILESCC(Cl)c1nc2cc(Br)cnc2n1C1CCC(=O)NC1=O
InChIInChI=1S/C13H12BrClN4O2/c1-6(15)11-17-8-4-7(14)5-16-12(8)19(11)9-2-3-10(20)18-13(9)21/h4-6,9H,2-3H2,1H3,(H,18,20,21)
InChIKeyZAADTWRCXJBNGC-UHFFFAOYSA-N
MW371.62 g/mol
LogP2.47
Rot. Bonds2

About 3-[6-bromo-2-(1-chloroethyl)imidazo[4,5-b]pyridin-3-yl]piperidine-2,6-dione

3-[6-bromo-2-(1-chloroethyl)imidazo[4,5-b]pyridin-3-yl]piperidine-2,6-dione (PubChem CID 79279739) has the molecular formula C13H12BrClN4O2 and a molecular weight of 371.62 g/mol. Its IUPAC name is 3-[6-bromo-2-(1-chloroethyl)imidazo[4,5-b]pyridin-3-yl]piperidine-2,6-dione.

Molecular Properties

Compound Name3-[6-bromo-2-(1-chloroethyl)imidazo[4,5-b]pyridin-3-yl]piperidine-2,6-dione
PubChem CID79279739
Molecular FormulaC13H12BrClN4O2
Molecular Weight371.62 g/mol
Exact Mass369.98
IUPAC Name3-[6-bromo-2-(1-chloroethyl)imidazo[4,5-b]pyridin-3-yl]piperidine-2,6-dione
SMILESCC(Cl)c1nc2cc(Br)cnc2n1C1CCC(=O)NC1=O
InChIInChI=1S/C13H12BrClN4O2/c1-6(15)11-17-8-4-7(14)5-16-12(8)19(11)9-2-3-10(20)18-13(9)21/h4-6,9H,2-3H2,1H3,(H,18,20,21)
InChIKeyZAADTWRCXJBNGC-UHFFFAOYSA-N
XLogP2.47
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.62
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 3-[6-bromo-2-(1-chloroethyl)imidazo[4,5-b]pyridin-3-yl]piperidine-2,6-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

6-bromo-2-(1-chloroethyl)-3-cycloheptylimidazo[4,5-b]pyridine
CID 79302816
3-[2-(1-chloroethyl)-7-methylimidazo[4,5-b]pyridin-3-yl]piperidine-2,6-dione
CID 79280501
3-[6-bromo-2-(1-chloroethyl)imidazo[4,5-b]pyridin-3-yl]thiolane 1,1-dioxide
CID 79302589
6-bromo-2-(1-chloroethyl)-3-(3-methylcyclopentyl)imidazo[4,5-b]pyridine
CID 114548514
6-bromo-2-(1-chloroethyl)-3-(oxolan-3-yl)imidazo[4,5-b]pyridine
CID 80713098
3-[2-(2-chloroethyl)-6-methylimidazo[4,5-b]pyridin-3-yl]piperidine-2,6-dione
CID 79278746
6-bromo-2-(1-chloroethyl)-3-(1-ethylpiperidin-3-yl)imidazo[4,5-b]pyridine
CID 79280245
6-bromo-2-(1-chloroethyl)-3-pentan-3-ylimidazo[4,5-b]pyridine
CID 79302304
3-(7-bromo-2-methyl-5-nitro-4-oxoquinazolin-3-yl)piperidine-2,6-dione
CID 146338228
6-bromo-2-(1-chloroethyl)-3-(2-cyclopentyloxyethyl)imidazo[4,5-b]pyridine
CID 79279906
3-(6-bromo-2-methyl-4-oxoquinazolin-3-yl)piperidine-2,6-dione
CID 25235686
6-bromo-2-(1-chloroethyl)-3-(3-ethylpentan-2-yl)imidazo[4,5-b]pyridine
CID 79302839

Frequently Asked Questions

What is the IUPAC name of 3-[6-bromo-2-(1-chloroethyl)imidazo[4,5-b]pyridin-3-yl]piperidine-2,6-dione?
The IUPAC name of 3-[6-bromo-2-(1-chloroethyl)imidazo[4,5-b]pyridin-3-yl]piperidine-2,6-dione (CID 79279739) is 3-[6-bromo-2-(1-chloroethyl)imidazo[4,5-b]pyridin-3-yl]piperidine-2,6-dione.
What is the SMILES notation for 3-[6-bromo-2-(1-chloroethyl)imidazo[4,5-b]pyridin-3-yl]piperidine-2,6-dione?
The canonical SMILES for 3-[6-bromo-2-(1-chloroethyl)imidazo[4,5-b]pyridin-3-yl]piperidine-2,6-dione is CC(Cl)c1nc2cc(Br)cnc2n1C1CCC(=O)NC1=O.
What is the InChIKey of 3-[6-bromo-2-(1-chloroethyl)imidazo[4,5-b]pyridin-3-yl]piperidine-2,6-dione?
The InChIKey is ZAADTWRCXJBNGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12BrClN4O2/c1-6(15)11-17-8-4-7(14)5-16-12(8)19(11)9-2-3-10(20)18-13(9)21/h4-6,9H,2-3H2,1H3,(H,18,20,21).
What are the key properties of 3-[6-bromo-2-(1-chloroethyl)imidazo[4,5-b]pyridin-3-yl]piperidine-2,6-dione?
3-[6-bromo-2-(1-chloroethyl)imidazo[4,5-b]pyridin-3-yl]piperidine-2,6-dione has a molecular weight of 371.62 g/mol, XLogP of 2.47, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-bromo-2-(1-chloroethyl)imidazo[4,5-b]pyridin-3-yl]piperidine-2,6-dione is sourced from PubChem (CID 79279739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).