8-chloro-3-(piperazin-1-ylmethyl)imidazo[1,5-a]pyridine-1-carboxylic acid

C13H15ClN4O2 — CID 117255609

IUPAC8-chloro-3-(piperazin-1-ylmethyl)imidazo[1,5-a]pyridine-1-carboxylic acid
SMILESO=C(O)c1nc(CN2CCNCC2)n2cccc(Cl)c12
InChIInChI=1S/C13H15ClN4O2/c14-9-2-1-5-18-10(8-17-6-3-15-4-7-17)16-11(12(9)18)13(19)20/h1-2,5,15H,3-4,6-8H2,(H,19,20)
InChIKeyXPCOVJCBBVWAMG-UHFFFAOYSA-N
MW294.74 g/mol
LogP1.09
Rot. Bonds3

About 8-chloro-3-(piperazin-1-ylmethyl)imidazo[1,5-a]pyridine-1-carboxylic acid

8-chloro-3-(piperazin-1-ylmethyl)imidazo[1,5-a]pyridine-1-carboxylic acid (PubChem CID 117255609) has the molecular formula C13H15ClN4O2 and a molecular weight of 294.74 g/mol. Its IUPAC name is 8-chloro-3-(piperazin-1-ylmethyl)imidazo[1,5-a]pyridine-1-carboxylic acid.

Molecular Properties

Compound Name8-chloro-3-(piperazin-1-ylmethyl)imidazo[1,5-a]pyridine-1-carboxylic acid
PubChem CID117255609
Molecular FormulaC13H15ClN4O2
Molecular Weight294.74 g/mol
Exact Mass294.09
IUPAC Name8-chloro-3-(piperazin-1-ylmethyl)imidazo[1,5-a]pyridine-1-carboxylic acid
SMILESO=C(O)c1nc(CN2CCNCC2)n2cccc(Cl)c12
InChIInChI=1S/C13H15ClN4O2/c14-9-2-1-5-18-10(8-17-6-3-15-4-7-17)16-11(12(9)18)13(19)20/h1-2,5,15H,3-4,6-8H2,(H,19,20)
InChIKeyXPCOVJCBBVWAMG-UHFFFAOYSA-N
XLogP1.09
TPSA69.87 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.74
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

8-chloro-3-(morpholin-4-ylmethyl)imidazo[1,5-a]pyridine-1-carboxylic acid
CID 117255610
3-(2-carboxyethyl)-8-chloroimidazo[1,5-a]pyridine-1-carboxylic acid
CID 117255108
3-(2-aminopropyl)-8-chloroimidazo[1,5-a]pyridine-1-carboxylic acid
CID 117254982
8-chloro-3-[3-(methylamino)propyl]imidazo[1,5-a]pyridine-1-carboxylic acid
CID 117255040
8-chloro-2-(piperazin-1-ylmethyl)-[1,2,4]triazolo[1,5-a]pyridine
CID 117258003
8-chloro-2-methyl-3-(piperazin-1-ylmethyl)imidazo[1,2-a]pyridine
CID 82529387
1-[(2,6-dichlorophenyl)methyl]piperazine
CID 770796
2-[4-(piperazin-1-ylmethyl)phenoxy]acetic acid
CID 83525519
3-ethylimidazo[1,5-a]pyridine-1,8-dicarboxylic acid
CID 117252398
3-benzyl-8-hydroxyimidazo[1,5-a]pyridine-1-carboxylic acid
CID 117252385
8-amino-3-ethylimidazo[1,5-a]pyridine-1-carboxylic acid
CID 83832703
8-hydroxy-3-(2-methoxyethyl)imidazo[1,5-a]pyridine-1-carboxylic acid
CID 117252133

Frequently Asked Questions

What is the IUPAC name of 8-chloro-3-(piperazin-1-ylmethyl)imidazo[1,5-a]pyridine-1-carboxylic acid?
The IUPAC name of 8-chloro-3-(piperazin-1-ylmethyl)imidazo[1,5-a]pyridine-1-carboxylic acid (CID 117255609) is 8-chloro-3-(piperazin-1-ylmethyl)imidazo[1,5-a]pyridine-1-carboxylic acid.
What is the SMILES notation for 8-chloro-3-(piperazin-1-ylmethyl)imidazo[1,5-a]pyridine-1-carboxylic acid?
The canonical SMILES for 8-chloro-3-(piperazin-1-ylmethyl)imidazo[1,5-a]pyridine-1-carboxylic acid is O=C(O)c1nc(CN2CCNCC2)n2cccc(Cl)c12.
What is the InChIKey of 8-chloro-3-(piperazin-1-ylmethyl)imidazo[1,5-a]pyridine-1-carboxylic acid?
The InChIKey is XPCOVJCBBVWAMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN4O2/c14-9-2-1-5-18-10(8-17-6-3-15-4-7-17)16-11(12(9)18)13(19)20/h1-2,5,15H,3-4,6-8H2,(H,19,20).
What are the key properties of 8-chloro-3-(piperazin-1-ylmethyl)imidazo[1,5-a]pyridine-1-carboxylic acid?
8-chloro-3-(piperazin-1-ylmethyl)imidazo[1,5-a]pyridine-1-carboxylic acid has a molecular weight of 294.74 g/mol, XLogP of 1.09, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-3-(piperazin-1-ylmethyl)imidazo[1,5-a]pyridine-1-carboxylic acid is sourced from PubChem (CID 117255609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).