3-(2-aminopropyl)-6-bromoimidazo[1,5-a]pyridine-1-carboxylic acid

C11H12BrN3O2 — CID 117253806

IUPAC3-(2-aminopropyl)-6-bromoimidazo[1,5-a]pyridine-1-carboxylic acid
SMILESCC(N)Cc1nc(C(=O)O)c2ccc(Br)cn12
InChIInChI=1S/C11H12BrN3O2/c1-6(13)4-9-14-10(11(16)17)8-3-2-7(12)5-15(8)9/h2-3,5-6H,4,13H2,1H3,(H,16,17)
InChIKeyPPOKFRREYRUQEF-UHFFFAOYSA-N
MW298.14 g/mol
LogP1.68
Rot. Bonds3

About 3-(2-aminopropyl)-6-bromoimidazo[1,5-a]pyridine-1-carboxylic acid

3-(2-aminopropyl)-6-bromoimidazo[1,5-a]pyridine-1-carboxylic acid (PubChem CID 117253806) has the molecular formula C11H12BrN3O2 and a molecular weight of 298.14 g/mol. Its IUPAC name is 3-(2-aminopropyl)-6-bromoimidazo[1,5-a]pyridine-1-carboxylic acid.

Molecular Properties

Compound Name3-(2-aminopropyl)-6-bromoimidazo[1,5-a]pyridine-1-carboxylic acid
PubChem CID117253806
Molecular FormulaC11H12BrN3O2
Molecular Weight298.14 g/mol
Exact Mass297.01
IUPAC Name3-(2-aminopropyl)-6-bromoimidazo[1,5-a]pyridine-1-carboxylic acid
SMILESCC(N)Cc1nc(C(=O)O)c2ccc(Br)cn12
InChIInChI=1S/C11H12BrN3O2/c1-6(13)4-9-14-10(11(16)17)8-3-2-7(12)5-15(8)9/h2-3,5-6H,4,13H2,1H3,(H,16,17)
InChIKeyPPOKFRREYRUQEF-UHFFFAOYSA-N
XLogP1.68
TPSA80.62 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.14
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-(2-aminopropyl)-6-bromoimidazo[1,5-a]pyridine-1-carboxylic acid 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-3-propan-2-ylimidazo[1,5-a]pyridine-1-carboxylic acid
CID 84743542
methyl 6-bromo-3-(2-hydroxypropyl)imidazo[1,5-a]pyridine-1-carboxylate
CID 117253419
5-amino-3-(2-aminopropyl)imidazo[1,5-a]pyridine-1-carboxylic acid
CID 117253231
3-(2-aminopropyl)-1-bromoimidazo[1,5-a]pyridin-6-amine
CID 117253783
3-(2-aminopropyl)-8-chloroimidazo[1,5-a]pyridine-1-carboxylic acid
CID 117254982
1-(1-bromo-6-fluoroimidazo[1,5-a]pyridin-3-yl)propan-2-amine
CID 83903726
6-bromo-3-(2-methylphenyl)imidazo[1,5-a]pyridine-1-carboxylic acid
CID 84744921
3-(3-amino-2-methylpropyl)imidazo[1,5-a]pyridine-1-carboxylic acid
CID 116984013
6-bromo-1-methylimidazo[1,5-a]pyridine-3-carboxylic acid
CID 82380854
6-amino-3-(2-methoxyethyl)imidazo[1,5-a]pyridine-1-carboxylic acid
CID 117250975
6-methyl-3-(methylsulfanylmethyl)imidazo[1,5-a]pyridine-1-carboxylic acid
CID 117255410
1-(6-bromo-1-methylimidazo[1,5-a]pyridin-3-yl)ethanamine
CID 83867538

Frequently Asked Questions

What is the IUPAC name of 3-(2-aminopropyl)-6-bromoimidazo[1,5-a]pyridine-1-carboxylic acid?
The IUPAC name of 3-(2-aminopropyl)-6-bromoimidazo[1,5-a]pyridine-1-carboxylic acid (CID 117253806) is 3-(2-aminopropyl)-6-bromoimidazo[1,5-a]pyridine-1-carboxylic acid.
What is the SMILES notation for 3-(2-aminopropyl)-6-bromoimidazo[1,5-a]pyridine-1-carboxylic acid?
The canonical SMILES for 3-(2-aminopropyl)-6-bromoimidazo[1,5-a]pyridine-1-carboxylic acid is CC(N)Cc1nc(C(=O)O)c2ccc(Br)cn12.
What is the InChIKey of 3-(2-aminopropyl)-6-bromoimidazo[1,5-a]pyridine-1-carboxylic acid?
The InChIKey is PPOKFRREYRUQEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrN3O2/c1-6(13)4-9-14-10(11(16)17)8-3-2-7(12)5-15(8)9/h2-3,5-6H,4,13H2,1H3,(H,16,17).
What are the key properties of 3-(2-aminopropyl)-6-bromoimidazo[1,5-a]pyridine-1-carboxylic acid?
3-(2-aminopropyl)-6-bromoimidazo[1,5-a]pyridine-1-carboxylic acid has a molecular weight of 298.14 g/mol, XLogP of 1.68, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-aminopropyl)-6-bromoimidazo[1,5-a]pyridine-1-carboxylic acid is sourced from PubChem (CID 117253806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).