3-tert-butyl-7-methylimidazo[1,5-a]pyridine-1-carboxylic acid

C13H16N2O2 — CID 83840855

IUPAC3-tert-butyl-7-methylimidazo[1,5-a]pyridine-1-carboxylic acid
SMILESCc1ccn2c(C(C)(C)C)nc(C(=O)O)c2c1
InChIInChI=1S/C13H16N2O2/c1-8-5-6-15-9(7-8)10(11(16)17)14-12(15)13(2,3)4/h5-7H,1-4H3,(H,16,17)
InChIKeyHOAJVFURXOJXJP-UHFFFAOYSA-N
MW232.28 g/mol
LogP2.64
Rot. Bonds1

About 3-tert-butyl-7-methylimidazo[1,5-a]pyridine-1-carboxylic acid

3-tert-butyl-7-methylimidazo[1,5-a]pyridine-1-carboxylic acid (PubChem CID 83840855) has the molecular formula C13H16N2O2 and a molecular weight of 232.28 g/mol. Its IUPAC name is 3-tert-butyl-7-methylimidazo[1,5-a]pyridine-1-carboxylic acid.

Molecular Properties

Compound Name3-tert-butyl-7-methylimidazo[1,5-a]pyridine-1-carboxylic acid
PubChem CID83840855
Molecular FormulaC13H16N2O2
Molecular Weight232.28 g/mol
Exact Mass232.12
IUPAC Name3-tert-butyl-7-methylimidazo[1,5-a]pyridine-1-carboxylic acid
SMILESCc1ccn2c(C(C)(C)C)nc(C(=O)O)c2c1
InChIInChI=1S/C13H16N2O2/c1-8-5-6-15-9(7-8)10(11(16)17)14-12(15)13(2,3)4/h5-7H,1-4H3,(H,16,17)
InChIKeyHOAJVFURXOJXJP-UHFFFAOYSA-N
XLogP2.64
TPSA54.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

7-methyl-3-(2-methylphenyl)imidazo[1,5-a]pyridine-1-carboxylic acid
CID 84742900
3-tert-butylimidazo[1,5-a]pyridine-1,6-dicarboxylic acid
CID 84742707
3-(azetidin-3-yl)-7-methylimidazo[1,5-a]pyridine-1-carboxylic acid
CID 117254064
7-methyl-3-(pyrrolidin-1-ylmethyl)imidazo[1,5-a]pyridine-1-carboxylic acid
CID 117246922
3-(azetidin-3-ylmethyl)-7-methylimidazo[1,5-a]pyridine-1-carboxylic acid
CID 117254174
1-chloro-7-methylimidazo[1,5-a]pyridine-3-carboxylic acid
CID 83869559
7-bromo-3-(4-methylphenyl)imidazo[1,5-a]pyridine-1-carboxylic acid
CID 84744919
3-[(3-chlorophenoxy)methyl]-7-methylimidazo[1,5-a]pyridine-1-carboxylic acid
CID 117246957
7-methyl-3-phenylimidazo[1,2-a]pyridine-2-carboxylic acid
CID 82063200
3-(4-amino-2-methylbutan-2-yl)imidazo[1,5-a]pyridine-1-carboxylic acid
CID 116984015
3-chloro-7-methylindolizine-1-carboxylic acid
CID 174638129
7-hydroxy-3-[(4-methylphenoxy)methyl]imidazo[1,5-a]pyridine-1-carboxylic acid
CID 117255453

Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-7-methylimidazo[1,5-a]pyridine-1-carboxylic acid?
The IUPAC name of 3-tert-butyl-7-methylimidazo[1,5-a]pyridine-1-carboxylic acid (CID 83840855) is 3-tert-butyl-7-methylimidazo[1,5-a]pyridine-1-carboxylic acid.
What is the SMILES notation for 3-tert-butyl-7-methylimidazo[1,5-a]pyridine-1-carboxylic acid?
The canonical SMILES for 3-tert-butyl-7-methylimidazo[1,5-a]pyridine-1-carboxylic acid is Cc1ccn2c(C(C)(C)C)nc(C(=O)O)c2c1.
What is the InChIKey of 3-tert-butyl-7-methylimidazo[1,5-a]pyridine-1-carboxylic acid?
The InChIKey is HOAJVFURXOJXJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O2/c1-8-5-6-15-9(7-8)10(11(16)17)14-12(15)13(2,3)4/h5-7H,1-4H3,(H,16,17).
What are the key properties of 3-tert-butyl-7-methylimidazo[1,5-a]pyridine-1-carboxylic acid?
3-tert-butyl-7-methylimidazo[1,5-a]pyridine-1-carboxylic acid has a molecular weight of 232.28 g/mol, XLogP of 2.64, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-7-methylimidazo[1,5-a]pyridine-1-carboxylic acid is sourced from PubChem (CID 83840855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).