6-bromo-8-chlorospiro[2H-imidazo[1,5-a]pyridine-3,4'-piperidine]-1,5-dione;ethane

C13H17BrClN3O2 — CID 144985946

IUPAC6-bromo-8-chlorospiro[2H-imidazo[1,5-a]pyridine-3,4'-piperidine]-1,5-dione;ethane
SMILESCC.O=C1NC2(CCNCC2)n2c1c(Cl)cc(Br)c2=O
InChIInChI=1S/C11H11BrClN3O2.C2H6/c12-6-5-7(13)8-9(17)15-11(16(8)10(6)18)1-3-14-4-2-11;1-2/h5,14H,1-4H2,(H,15,17);1-2H3
InChIKeyWJPPGKZGZCYTNA-UHFFFAOYSA-N
MW362.66 g/mol
LogP2.07
Rot. Bonds

About 6-bromo-8-chlorospiro[2H-imidazo[1,5-a]pyridine-3,4'-piperidine]-1,5-dione;ethane

6-bromo-8-chlorospiro[2H-imidazo[1,5-a]pyridine-3,4'-piperidine]-1,5-dione;ethane (PubChem CID 144985946) has the molecular formula C13H17BrClN3O2 and a molecular weight of 362.66 g/mol. Its IUPAC name is 6-bromo-8-chlorospiro[2H-imidazo[1,5-a]pyridine-3,4'-piperidine]-1,5-dione;ethane.

Molecular Properties

Compound Name6-bromo-8-chlorospiro[2H-imidazo[1,5-a]pyridine-3,4'-piperidine]-1,5-dione;ethane
PubChem CID144985946
Molecular FormulaC13H17BrClN3O2
Molecular Weight362.66 g/mol
Exact Mass361.02
IUPAC Name6-bromo-8-chlorospiro[2H-imidazo[1,5-a]pyridine-3,4'-piperidine]-1,5-dione;ethane
SMILESCC.O=C1NC2(CCNCC2)n2c1c(Cl)cc(Br)c2=O
InChIInChI=1S/C11H11BrClN3O2.C2H6/c12-6-5-7(13)8-9(17)15-11(16(8)10(6)18)1-3-14-4-2-11;1-2/h5,14H,1-4H2,(H,15,17);1-2H3
InChIKeyWJPPGKZGZCYTNA-UHFFFAOYSA-N
XLogP2.07
TPSA63.13 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.66
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 6-bromo-8-chlorospiro[2H-imidazo[1,5-a]pyridine-3,4'-piperidine]-1,5-dione;ethane 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 6-bromo-8-chlorospiro[2H-imidazo[1,5-a]pyridine-3,4'-piperidine]-1,5-dione;ethane?
The IUPAC name of 6-bromo-8-chlorospiro[2H-imidazo[1,5-a]pyridine-3,4'-piperidine]-1,5-dione;ethane (CID 144985946) is 6-bromo-8-chlorospiro[2H-imidazo[1,5-a]pyridine-3,4'-piperidine]-1,5-dione;ethane.
What is the SMILES notation for 6-bromo-8-chlorospiro[2H-imidazo[1,5-a]pyridine-3,4'-piperidine]-1,5-dione;ethane?
The canonical SMILES for 6-bromo-8-chlorospiro[2H-imidazo[1,5-a]pyridine-3,4'-piperidine]-1,5-dione;ethane is CC.O=C1NC2(CCNCC2)n2c1c(Cl)cc(Br)c2=O.
What is the InChIKey of 6-bromo-8-chlorospiro[2H-imidazo[1,5-a]pyridine-3,4'-piperidine]-1,5-dione;ethane?
The InChIKey is WJPPGKZGZCYTNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrClN3O2.C2H6/c12-6-5-7(13)8-9(17)15-11(16(8)10(6)18)1-3-14-4-2-11;1-2/h5,14H,1-4H2,(H,15,17);1-2H3.
What are the key properties of 6-bromo-8-chlorospiro[2H-imidazo[1,5-a]pyridine-3,4'-piperidine]-1,5-dione;ethane?
6-bromo-8-chlorospiro[2H-imidazo[1,5-a]pyridine-3,4'-piperidine]-1,5-dione;ethane has a molecular weight of 362.66 g/mol, XLogP of 2.07, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-8-chlorospiro[2H-imidazo[1,5-a]pyridine-3,4'-piperidine]-1,5-dione;ethane is sourced from PubChem (CID 144985946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).