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

C13H14ClN3O2 — CID 117252845

IUPAC5-chloro-3-piperidin-4-ylimidazo[1,5-a]pyridine-1-carboxylic acid
SMILESO=C(O)c1nc(C2CCNCC2)n2c(Cl)cccc12
InChIInChI=1S/C13H14ClN3O2/c14-10-3-1-2-9-11(13(18)19)16-12(17(9)10)8-4-6-15-7-5-8/h1-3,8,15H,4-7H2,(H,18,19)
InChIKeyHHAYLDZRDFOODZ-UHFFFAOYSA-N
MW279.73 g/mol
LogP2.15
Rot. Bonds2

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

5-chloro-3-piperidin-4-ylimidazo[1,5-a]pyridine-1-carboxylic acid (PubChem CID 117252845) has the molecular formula C13H14ClN3O2 and a molecular weight of 279.73 g/mol. Its IUPAC name is 5-chloro-3-piperidin-4-ylimidazo[1,5-a]pyridine-1-carboxylic acid.

Molecular Properties

Compound Name5-chloro-3-piperidin-4-ylimidazo[1,5-a]pyridine-1-carboxylic acid
PubChem CID117252845
Molecular FormulaC13H14ClN3O2
Molecular Weight279.73 g/mol
Exact Mass279.08
IUPAC Name5-chloro-3-piperidin-4-ylimidazo[1,5-a]pyridine-1-carboxylic acid
SMILESO=C(O)c1nc(C2CCNCC2)n2c(Cl)cccc12
InChIInChI=1S/C13H14ClN3O2/c14-10-3-1-2-9-11(13(18)19)16-12(17(9)10)8-4-6-15-7-5-8/h1-3,8,15H,4-7H2,(H,18,19)
InChIKeyHHAYLDZRDFOODZ-UHFFFAOYSA-N
XLogP2.15
TPSA66.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.73
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

5-amino-3-(azepan-3-yl)imidazo[1,5-a]pyridine-1-carboxylic acid
CID 117252921
5-chloro-3-(piperidin-3-ylmethyl)imidazo[1,5-a]pyridine-1-carboxylic acid
CID 117253038
5-chloro-3-(pyrrolidin-2-ylmethyl)imidazo[1,5-a]pyridine-1-carboxylic acid
CID 117252949
5-amino-3-(1,1-dioxothian-4-yl)imidazo[1,5-a]pyridine-1-carboxylic acid
CID 117250402
3-(1-ethylpiperidin-4-yl)-5-methylimidazo[1,5-a]pyridine-1-carboxylic acid
CID 117250436
methyl 5-chloro-3-pyrrolidin-2-ylimidazo[1,5-a]pyridine-1-carboxylate
CID 117253063
5-chloro-3-(2-hydroxyethyl)imidazo[1,5-a]pyridine-1-carboxylic acid
CID 117252747
5-hydroxy-3-(1-methylpyrrolidin-3-yl)imidazo[1,5-a]pyridine-1-carboxylic acid
CID 137005550
6-amino-3-pyrrolidin-3-ylimidazo[1,5-a]pyridine-1-carboxylic acid
CID 117251036
1-chloro-3-cyclopentylimidazo[1,5-a]pyridine-5-carboxylic acid
CID 117250887
6-chloro-2-piperidin-4-ylpyrido[1,2-a]pyrimidin-4-one
CID 115054621
3-(1-propan-2-ylpyrrolidin-3-yl)imidazo[1,5-a]pyridine-1,5-dicarboxylic acid
CID 117250287

Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-piperidin-4-ylimidazo[1,5-a]pyridine-1-carboxylic acid?
The IUPAC name of 5-chloro-3-piperidin-4-ylimidazo[1,5-a]pyridine-1-carboxylic acid (CID 117252845) is 5-chloro-3-piperidin-4-ylimidazo[1,5-a]pyridine-1-carboxylic acid.
What is the SMILES notation for 5-chloro-3-piperidin-4-ylimidazo[1,5-a]pyridine-1-carboxylic acid?
The canonical SMILES for 5-chloro-3-piperidin-4-ylimidazo[1,5-a]pyridine-1-carboxylic acid is O=C(O)c1nc(C2CCNCC2)n2c(Cl)cccc12.
What is the InChIKey of 5-chloro-3-piperidin-4-ylimidazo[1,5-a]pyridine-1-carboxylic acid?
The InChIKey is HHAYLDZRDFOODZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClN3O2/c14-10-3-1-2-9-11(13(18)19)16-12(17(9)10)8-4-6-15-7-5-8/h1-3,8,15H,4-7H2,(H,18,19).
What are the key properties of 5-chloro-3-piperidin-4-ylimidazo[1,5-a]pyridine-1-carboxylic acid?
5-chloro-3-piperidin-4-ylimidazo[1,5-a]pyridine-1-carboxylic acid has a molecular weight of 279.73 g/mol, XLogP of 2.15, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-piperidin-4-ylimidazo[1,5-a]pyridine-1-carboxylic acid is sourced from PubChem (CID 117252845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).