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

C13H13BrClN3O3 — CID 118598849

IUPAC1'-acetyl-6-bromo-8-chlorospiro[2H-imidazo[1,5-a]pyridine-3,4'-piperidine]-1,5-dione
SMILESCC(=O)N1CCC2(CC1)NC(=O)c1c(Cl)cc(Br)c(=O)n12
InChIInChI=1S/C13H13BrClN3O3/c1-7(19)17-4-2-13(3-5-17)16-11(20)10-9(15)6-8(14)12(21)18(10)13/h6H,2-5H2,1H3,(H,16,20)
InChIKeyXMKBRDQDSSNNBT-UHFFFAOYSA-N
MW374.62 g/mol
LogP1.30
Rot. Bonds

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

1'-acetyl-6-bromo-8-chlorospiro[2H-imidazo[1,5-a]pyridine-3,4'-piperidine]-1,5-dione (PubChem CID 118598849) has the molecular formula C13H13BrClN3O3 and a molecular weight of 374.62 g/mol. Its IUPAC name is 1'-acetyl-6-bromo-8-chlorospiro[2H-imidazo[1,5-a]pyridine-3,4'-piperidine]-1,5-dione.

Molecular Properties

Compound Name1'-acetyl-6-bromo-8-chlorospiro[2H-imidazo[1,5-a]pyridine-3,4'-piperidine]-1,5-dione
PubChem CID118598849
Molecular FormulaC13H13BrClN3O3
Molecular Weight374.62 g/mol
Exact Mass372.98
IUPAC Name1'-acetyl-6-bromo-8-chlorospiro[2H-imidazo[1,5-a]pyridine-3,4'-piperidine]-1,5-dione
SMILESCC(=O)N1CCC2(CC1)NC(=O)c1c(Cl)cc(Br)c(=O)n12
InChIInChI=1S/C13H13BrClN3O3/c1-7(19)17-4-2-13(3-5-17)16-11(20)10-9(15)6-8(14)12(21)18(10)13/h6H,2-5H2,1H3,(H,16,20)
InChIKeyXMKBRDQDSSNNBT-UHFFFAOYSA-N
XLogP1.30
TPSA71.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.62
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1'-acetyl-6-bromo-8-chlorospiro[2H-imidazo[1,5-a]pyridine-3,4'-piperidine]-1,5-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 1'-acetyl-6-bromo-8-chlorospiro[2H-imidazo[1,5-a]pyridine-3,4'-piperidine]-1,5-dione?
The IUPAC name of 1'-acetyl-6-bromo-8-chlorospiro[2H-imidazo[1,5-a]pyridine-3,4'-piperidine]-1,5-dione (CID 118598849) is 1'-acetyl-6-bromo-8-chlorospiro[2H-imidazo[1,5-a]pyridine-3,4'-piperidine]-1,5-dione.
What is the SMILES notation for 1'-acetyl-6-bromo-8-chlorospiro[2H-imidazo[1,5-a]pyridine-3,4'-piperidine]-1,5-dione?
The canonical SMILES for 1'-acetyl-6-bromo-8-chlorospiro[2H-imidazo[1,5-a]pyridine-3,4'-piperidine]-1,5-dione is CC(=O)N1CCC2(CC1)NC(=O)c1c(Cl)cc(Br)c(=O)n12.
What is the InChIKey of 1'-acetyl-6-bromo-8-chlorospiro[2H-imidazo[1,5-a]pyridine-3,4'-piperidine]-1,5-dione?
The InChIKey is XMKBRDQDSSNNBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13BrClN3O3/c1-7(19)17-4-2-13(3-5-17)16-11(20)10-9(15)6-8(14)12(21)18(10)13/h6H,2-5H2,1H3,(H,16,20).
What are the key properties of 1'-acetyl-6-bromo-8-chlorospiro[2H-imidazo[1,5-a]pyridine-3,4'-piperidine]-1,5-dione?
1'-acetyl-6-bromo-8-chlorospiro[2H-imidazo[1,5-a]pyridine-3,4'-piperidine]-1,5-dione has a molecular weight of 374.62 g/mol, XLogP of 1.30, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-acetyl-6-bromo-8-chlorospiro[2H-imidazo[1,5-a]pyridine-3,4'-piperidine]-1,5-dione is sourced from PubChem (CID 118598849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).