1-bromo-7-methyl-3-(piperazin-1-ylmethyl)imidazo[1,5-a]pyridine

C13H17BrN4 — CID 117246928

IUPAC1-bromo-7-methyl-3-(piperazin-1-ylmethyl)imidazo[1,5-a]pyridine
SMILESCc1ccn2c(CN3CCNCC3)nc(Br)c2c1
InChIInChI=1S/C13H17BrN4/c1-10-2-5-18-11(8-10)13(14)16-12(18)9-17-6-3-15-4-7-17/h2,5,8,15H,3-4,6-7,9H2,1H3
InChIKeyOSZRYICBELRRCQ-UHFFFAOYSA-N
MW309.21 g/mol
LogP1.81
Rot. Bonds2

About 1-bromo-7-methyl-3-(piperazin-1-ylmethyl)imidazo[1,5-a]pyridine

1-bromo-7-methyl-3-(piperazin-1-ylmethyl)imidazo[1,5-a]pyridine (PubChem CID 117246928) has the molecular formula C13H17BrN4 and a molecular weight of 309.21 g/mol. Its IUPAC name is 1-bromo-7-methyl-3-(piperazin-1-ylmethyl)imidazo[1,5-a]pyridine.

Molecular Properties

Compound Name1-bromo-7-methyl-3-(piperazin-1-ylmethyl)imidazo[1,5-a]pyridine
PubChem CID117246928
Molecular FormulaC13H17BrN4
Molecular Weight309.21 g/mol
Exact Mass308.06
IUPAC Name1-bromo-7-methyl-3-(piperazin-1-ylmethyl)imidazo[1,5-a]pyridine
SMILESCc1ccn2c(CN3CCNCC3)nc(Br)c2c1
InChIInChI=1S/C13H17BrN4/c1-10-2-5-18-11(8-10)13(14)16-12(18)9-17-6-3-15-4-7-17/h2,5,8,15H,3-4,6-7,9H2,1H3
InChIKeyOSZRYICBELRRCQ-UHFFFAOYSA-N
XLogP1.81
TPSA32.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.21
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-bromo-7-methyl-3-(piperazin-1-ylmethyl)imidazo[1,5-a]pyridine 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

3-(azetidin-3-ylmethyl)-1-bromo-7-methylimidazo[1,5-a]pyridine
CID 117254173
3-benzyl-1-bromo-7-methylimidazo[1,5-a]pyridine
CID 84744103
1-bromo-7-methyl-3-(4-methylphenyl)imidazo[1,5-a]pyridine
CID 84744102
1-bromo-3-(4-fluorophenyl)-7-methylimidazo[1,5-a]pyridine
CID 84744196
1-bromo-7-methylimidazo[1,5-a]pyridin-3-amine
CID 83867496
7-methyl-2-(piperazin-1-ylmethyl)-[1,2,4]triazolo[1,5-a]pyridine
CID 116989716
5-methyl-2-(piperazin-1-ylmethyl)-1-propylbenzimidazole
CID 62316185
7-bromo-1,5-dimethyl-2-(piperazin-1-ylmethyl)benzimidazole
CID 84646092
1-bromo-7-methyl-3-(pyridin-3-yloxymethyl)imidazo[1,5-a]pyridine
CID 117246974
1-bromo-3-cyclobutyl-7-methylimidazo[1,5-a]pyridine
CID 83844519
1-[(2-ethyl-5-methylphenyl)methyl]piperazine
CID 117311481
3-(azetidin-3-ylmethyl)-7-methylimidazo[1,5-a]pyridine-1-carboxylic acid
CID 117254174

Frequently Asked Questions

What is the IUPAC name of 1-bromo-7-methyl-3-(piperazin-1-ylmethyl)imidazo[1,5-a]pyridine?
The IUPAC name of 1-bromo-7-methyl-3-(piperazin-1-ylmethyl)imidazo[1,5-a]pyridine (CID 117246928) is 1-bromo-7-methyl-3-(piperazin-1-ylmethyl)imidazo[1,5-a]pyridine.
What is the SMILES notation for 1-bromo-7-methyl-3-(piperazin-1-ylmethyl)imidazo[1,5-a]pyridine?
The canonical SMILES for 1-bromo-7-methyl-3-(piperazin-1-ylmethyl)imidazo[1,5-a]pyridine is Cc1ccn2c(CN3CCNCC3)nc(Br)c2c1.
What is the InChIKey of 1-bromo-7-methyl-3-(piperazin-1-ylmethyl)imidazo[1,5-a]pyridine?
The InChIKey is OSZRYICBELRRCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17BrN4/c1-10-2-5-18-11(8-10)13(14)16-12(18)9-17-6-3-15-4-7-17/h2,5,8,15H,3-4,6-7,9H2,1H3.
What are the key properties of 1-bromo-7-methyl-3-(piperazin-1-ylmethyl)imidazo[1,5-a]pyridine?
1-bromo-7-methyl-3-(piperazin-1-ylmethyl)imidazo[1,5-a]pyridine has a molecular weight of 309.21 g/mol, XLogP of 1.81, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-7-methyl-3-(piperazin-1-ylmethyl)imidazo[1,5-a]pyridine is sourced from PubChem (CID 117246928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).