1-bromo-3-piperidin-4-ylimidazo[1,5-a]pyridine-7-carboxylic acid

C13H14BrN3O2 — CID 84744774

IUPAC1-bromo-3-piperidin-4-ylimidazo[1,5-a]pyridine-7-carboxylic acid
SMILESO=C(O)c1ccn2c(C3CCNCC3)nc(Br)c2c1
InChIInChI=1S/C13H14BrN3O2/c14-11-10-7-9(13(18)19)3-6-17(10)12(16-11)8-1-4-15-5-2-8/h3,6-8,15H,1-2,4-5H2,(H,18,19)
InChIKeyLOIFKXOXVXPJLO-UHFFFAOYSA-N
MW324.18 g/mol
LogP2.26
Rot. Bonds2

About 1-bromo-3-piperidin-4-ylimidazo[1,5-a]pyridine-7-carboxylic acid

1-bromo-3-piperidin-4-ylimidazo[1,5-a]pyridine-7-carboxylic acid (PubChem CID 84744774) has the molecular formula C13H14BrN3O2 and a molecular weight of 324.18 g/mol. Its IUPAC name is 1-bromo-3-piperidin-4-ylimidazo[1,5-a]pyridine-7-carboxylic acid.

Molecular Properties

Compound Name1-bromo-3-piperidin-4-ylimidazo[1,5-a]pyridine-7-carboxylic acid
PubChem CID84744774
Molecular FormulaC13H14BrN3O2
Molecular Weight324.18 g/mol
Exact Mass323.03
IUPAC Name1-bromo-3-piperidin-4-ylimidazo[1,5-a]pyridine-7-carboxylic acid
SMILESO=C(O)c1ccn2c(C3CCNCC3)nc(Br)c2c1
InChIInChI=1S/C13H14BrN3O2/c14-11-10-7-9(13(18)19)3-6-17(10)12(16-11)8-1-4-15-5-2-8/h3,6-8,15H,1-2,4-5H2,(H,18,19)
InChIKeyLOIFKXOXVXPJLO-UHFFFAOYSA-N
XLogP2.26
TPSA66.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.18
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-bromo-3-piperidin-3-ylimidazo[1,5-a]pyridine-7-carboxylic acid
CID 84744775
3-pyrrolidin-3-ylimidazo[1,5-a]pyridine-1,7-dicarboxylic acid
CID 117251581
1-bromo-3-cyclopropyl-7-piperazin-1-ylimidazo[1,5-a]pyridine
CID 84604563
1-bromo-3-piperidin-4-ylimidazo[1,5-a]pyridine
CID 84743441
1-bromo-3-propan-2-ylimidazo[1,5-a]pyridine-7-carboxylic acid
CID 83678824
1-bromo-3-piperidin-3-ylimidazo[1,5-a]pyridin-7-ol
CID 117254078
1-bromo-3-cyclobutyl-7-methylimidazo[1,5-a]pyridine
CID 83844519
1-chloro-3-(thiolan-3-yl)imidazo[1,5-a]pyridine-7-carboxylic acid
CID 117251569
1,7-dichloro-3-piperidin-4-ylimidazo[1,5-a]pyridine
CID 117254036
1-bromo-3-[(4-fluorophenyl)methyl]imidazo[1,5-a]pyridine-7-carboxylic acid
CID 84745466
1-piperidin-4-ylindole-6-carboxylic acid
CID 59439473
1-[4-(1-bromoimidazo[1,5-a]pyridin-3-yl)piperidin-1-yl]ethanone
CID 84604743

Frequently Asked Questions

What is the IUPAC name of 1-bromo-3-piperidin-4-ylimidazo[1,5-a]pyridine-7-carboxylic acid?
The IUPAC name of 1-bromo-3-piperidin-4-ylimidazo[1,5-a]pyridine-7-carboxylic acid (CID 84744774) is 1-bromo-3-piperidin-4-ylimidazo[1,5-a]pyridine-7-carboxylic acid.
What is the SMILES notation for 1-bromo-3-piperidin-4-ylimidazo[1,5-a]pyridine-7-carboxylic acid?
The canonical SMILES for 1-bromo-3-piperidin-4-ylimidazo[1,5-a]pyridine-7-carboxylic acid is O=C(O)c1ccn2c(C3CCNCC3)nc(Br)c2c1.
What is the InChIKey of 1-bromo-3-piperidin-4-ylimidazo[1,5-a]pyridine-7-carboxylic acid?
The InChIKey is LOIFKXOXVXPJLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14BrN3O2/c14-11-10-7-9(13(18)19)3-6-17(10)12(16-11)8-1-4-15-5-2-8/h3,6-8,15H,1-2,4-5H2,(H,18,19).
What are the key properties of 1-bromo-3-piperidin-4-ylimidazo[1,5-a]pyridine-7-carboxylic acid?
1-bromo-3-piperidin-4-ylimidazo[1,5-a]pyridine-7-carboxylic acid has a molecular weight of 324.18 g/mol, XLogP of 2.26, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-3-piperidin-4-ylimidazo[1,5-a]pyridine-7-carboxylic acid is sourced from PubChem (CID 84744774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).