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

C13H14BrN3O2 — CID 84744775

IUPAC1-bromo-3-piperidin-3-ylimidazo[1,5-a]pyridine-7-carboxylic acid
SMILESO=C(O)c1ccn2c(C3CCCNC3)nc(Br)c2c1
InChIInChI=1S/C13H14BrN3O2/c14-11-10-6-8(13(18)19)3-5-17(10)12(16-11)9-2-1-4-15-7-9/h3,5-6,9,15H,1-2,4,7H2,(H,18,19)
InChIKeyRQHNPJXOPXTPBD-UHFFFAOYSA-N
MW324.18 g/mol
LogP2.26
Rot. Bonds2

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

1-bromo-3-piperidin-3-ylimidazo[1,5-a]pyridine-7-carboxylic acid (PubChem CID 84744775) has the molecular formula C13H14BrN3O2 and a molecular weight of 324.18 g/mol. Its IUPAC name is 1-bromo-3-piperidin-3-ylimidazo[1,5-a]pyridine-7-carboxylic acid.

Molecular Properties

Compound Name1-bromo-3-piperidin-3-ylimidazo[1,5-a]pyridine-7-carboxylic acid
PubChem CID84744775
Molecular FormulaC13H14BrN3O2
Molecular Weight324.18 g/mol
Exact Mass323.03
IUPAC Name1-bromo-3-piperidin-3-ylimidazo[1,5-a]pyridine-7-carboxylic acid
SMILESO=C(O)c1ccn2c(C3CCCNC3)nc(Br)c2c1
InChIInChI=1S/C13H14BrN3O2/c14-11-10-6-8(13(18)19)3-5-17(10)12(16-11)9-2-1-4-15-7-9/h3,5-6,9,15H,1-2,4,7H2,(H,18,19)
InChIKeyRQHNPJXOPXTPBD-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-4-ylimidazo[1,5-a]pyridine-7-carboxylic acid
CID 84744774
1-bromo-3-piperidin-3-ylimidazo[1,5-a]pyridin-7-ol
CID 117254078
3-pyrrolidin-3-ylimidazo[1,5-a]pyridine-1,7-dicarboxylic acid
CID 117251581
1-bromo-3-piperidin-3-ylimidazo[1,5-a]pyridine
CID 84743442
3-(azepan-3-yl)-7-methoxyimidazo[1,5-a]pyridine-1-carboxylic acid
CID 117254101
7-bromo-3-piperidin-3-ylimidazo[1,5-a]pyridine-1-carbaldehyde
CID 84744295
methyl 7-hydroxy-3-piperidin-3-ylimidazo[1,5-a]pyridine-1-carboxylate
CID 117254082
1-bromo-6-methyl-3-piperidin-3-ylimidazo[1,5-a]pyridine
CID 84743889
1,7-dichloro-3-piperidin-3-ylimidazo[1,5-a]pyridine
CID 117254087
1-chloro-3-piperidin-3-ylimidazo[1,5-a]pyridin-7-amine
CID 117254085
1-bromo-3-cyclobutylimidazo[1,5-a]pyridine-7-carbaldehyde
CID 83904653
1-bromo-3-cyclopropyl-7-piperazin-1-ylimidazo[1,5-a]pyridine
CID 84604563

Frequently Asked Questions

What is the IUPAC name of 1-bromo-3-piperidin-3-ylimidazo[1,5-a]pyridine-7-carboxylic acid?
The IUPAC name of 1-bromo-3-piperidin-3-ylimidazo[1,5-a]pyridine-7-carboxylic acid (CID 84744775) is 1-bromo-3-piperidin-3-ylimidazo[1,5-a]pyridine-7-carboxylic acid.
What is the SMILES notation for 1-bromo-3-piperidin-3-ylimidazo[1,5-a]pyridine-7-carboxylic acid?
The canonical SMILES for 1-bromo-3-piperidin-3-ylimidazo[1,5-a]pyridine-7-carboxylic acid is O=C(O)c1ccn2c(C3CCCNC3)nc(Br)c2c1.
What is the InChIKey of 1-bromo-3-piperidin-3-ylimidazo[1,5-a]pyridine-7-carboxylic acid?
The InChIKey is RQHNPJXOPXTPBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14BrN3O2/c14-11-10-6-8(13(18)19)3-5-17(10)12(16-11)9-2-1-4-15-7-9/h3,5-6,9,15H,1-2,4,7H2,(H,18,19).
What are the key properties of 1-bromo-3-piperidin-3-ylimidazo[1,5-a]pyridine-7-carboxylic acid?
1-bromo-3-piperidin-3-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-3-ylimidazo[1,5-a]pyridine-7-carboxylic acid is sourced from PubChem (CID 84744775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).