3-cyclobutyl-1-methylimidazo[1,5-a]pyridine-5-carboxylic acid

C13H14N2O2 — CID 83840388

IUPAC3-cyclobutyl-1-methylimidazo[1,5-a]pyridine-5-carboxylic acid
SMILESCc1nc(C2CCC2)n2c(C(=O)O)cccc12
InChIInChI=1S/C13H14N2O2/c1-8-10-6-3-7-11(13(16)17)15(10)12(14-8)9-4-2-5-9/h3,6-7,9H,2,4-5H2,1H3,(H,16,17)
InChIKeyYVYCXSUYUFEEOE-UHFFFAOYSA-N
MW230.27 g/mol
LogP2.61
Rot. Bonds2

About 3-cyclobutyl-1-methylimidazo[1,5-a]pyridine-5-carboxylic acid

3-cyclobutyl-1-methylimidazo[1,5-a]pyridine-5-carboxylic acid (PubChem CID 83840388) has the molecular formula C13H14N2O2 and a molecular weight of 230.27 g/mol. Its IUPAC name is 3-cyclobutyl-1-methylimidazo[1,5-a]pyridine-5-carboxylic acid.

Molecular Properties

Compound Name3-cyclobutyl-1-methylimidazo[1,5-a]pyridine-5-carboxylic acid
PubChem CID83840388
Molecular FormulaC13H14N2O2
Molecular Weight230.27 g/mol
Exact Mass230.11
IUPAC Name3-cyclobutyl-1-methylimidazo[1,5-a]pyridine-5-carboxylic acid
SMILESCc1nc(C2CCC2)n2c(C(=O)O)cccc12
InChIInChI=1S/C13H14N2O2/c1-8-10-6-3-7-11(13(16)17)15(10)12(14-8)9-4-2-5-9/h3,6-7,9H,2,4-5H2,1H3,(H,16,17)
InChIKeyYVYCXSUYUFEEOE-UHFFFAOYSA-N
XLogP2.61
TPSA54.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.27
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-cyclobutyl-1-methylimidazo[1,5-a]pyridine-5-carboxylic acid?
The IUPAC name of 3-cyclobutyl-1-methylimidazo[1,5-a]pyridine-5-carboxylic acid (CID 83840388) is 3-cyclobutyl-1-methylimidazo[1,5-a]pyridine-5-carboxylic acid.
What is the SMILES notation for 3-cyclobutyl-1-methylimidazo[1,5-a]pyridine-5-carboxylic acid?
The canonical SMILES for 3-cyclobutyl-1-methylimidazo[1,5-a]pyridine-5-carboxylic acid is Cc1nc(C2CCC2)n2c(C(=O)O)cccc12.
What is the InChIKey of 3-cyclobutyl-1-methylimidazo[1,5-a]pyridine-5-carboxylic acid?
The InChIKey is YVYCXSUYUFEEOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O2/c1-8-10-6-3-7-11(13(16)17)15(10)12(14-8)9-4-2-5-9/h3,6-7,9H,2,4-5H2,1H3,(H,16,17).
What are the key properties of 3-cyclobutyl-1-methylimidazo[1,5-a]pyridine-5-carboxylic acid?
3-cyclobutyl-1-methylimidazo[1,5-a]pyridine-5-carboxylic acid has a molecular weight of 230.27 g/mol, XLogP of 2.61, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclobutyl-1-methylimidazo[1,5-a]pyridine-5-carboxylic acid is sourced from PubChem (CID 83840388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).