3-(4-amino-2-methylbutan-2-yl)imidazo[1,5-a]pyridine-1-carboxylic acid

C13H17N3O2 — CID 116984015

IUPAC3-(4-amino-2-methylbutan-2-yl)imidazo[1,5-a]pyridine-1-carboxylic acid
SMILESCC(C)(CCN)c1nc(C(=O)O)c2ccccn12
InChIInChI=1S/C13H17N3O2/c1-13(2,6-7-14)12-15-10(11(17)18)9-5-3-4-8-16(9)12/h3-5,8H,6-7,14H2,1-2H3,(H,17,18)
InChIKeyXEQNJMBEEGCRST-UHFFFAOYSA-N
MW247.30 g/mol
LogP1.66
Rot. Bonds4

About 3-(4-amino-2-methylbutan-2-yl)imidazo[1,5-a]pyridine-1-carboxylic acid

3-(4-amino-2-methylbutan-2-yl)imidazo[1,5-a]pyridine-1-carboxylic acid (PubChem CID 116984015) has the molecular formula C13H17N3O2 and a molecular weight of 247.30 g/mol. Its IUPAC name is 3-(4-amino-2-methylbutan-2-yl)imidazo[1,5-a]pyridine-1-carboxylic acid.

Molecular Properties

Compound Name3-(4-amino-2-methylbutan-2-yl)imidazo[1,5-a]pyridine-1-carboxylic acid
PubChem CID116984015
Molecular FormulaC13H17N3O2
Molecular Weight247.30 g/mol
Exact Mass247.13
IUPAC Name3-(4-amino-2-methylbutan-2-yl)imidazo[1,5-a]pyridine-1-carboxylic acid
SMILESCC(C)(CCN)c1nc(C(=O)O)c2ccccn12
InChIInChI=1S/C13H17N3O2/c1-13(2,6-7-14)12-15-10(11(17)18)9-5-3-4-8-16(9)12/h3-5,8H,6-7,14H2,1-2H3,(H,17,18)
InChIKeyXEQNJMBEEGCRST-UHFFFAOYSA-N
XLogP1.66
TPSA80.62 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(3-amino-2-methylpropyl)imidazo[1,5-a]pyridine-1-carboxylic acid
CID 116984013
3-hydrazinylimidazo[1,5-a]pyridine-1-carboxylic acid
CID 116984081
3-methylsulfinylimidazo[1,5-a]pyridine-1-carboxylic acid
CID 21280356
3-(3-oxobutyl)imidazo[1,5-a]pyridine-1-carboxylic acid
CID 116984046
3-tert-butyl-N-[[1-(hydroxymethyl)cyclohexyl]methyl]imidazo[1,5-a]pyridine-1-carboxamide
CID 110631484
3-tert-butyl-7-methylimidazo[1,5-a]pyridine-1-carboxylic acid
CID 83840855
3-(2-chloroethyl)imidazo[1,5-a]pyridine-1-carboxylic acid
CID 116984026
3-(4-chlorophenyl)imidazo[1,5-a]pyridine-1-carboxylic acid
CID 28752075
3-tert-butyl-N-(2-piperidin-1-ylpropyl)imidazo[1,5-a]pyridine-1-carboxamide
CID 110620585
3-tert-butylimidazo[1,5-a]pyridine-1,6-dicarboxylic acid
CID 84742707
methyl 3-(3-amino-3-methylbutyl)imidazo[1,5-a]pyridine-1-carboxylate
CID 116984091
3-tert-butyl-N-[2-(cyclopropylamino)-2-oxoethyl]imidazo[1,5-a]pyridine-1-carboxamide
CID 110625076

Frequently Asked Questions

What is the IUPAC name of 3-(4-amino-2-methylbutan-2-yl)imidazo[1,5-a]pyridine-1-carboxylic acid?
The IUPAC name of 3-(4-amino-2-methylbutan-2-yl)imidazo[1,5-a]pyridine-1-carboxylic acid (CID 116984015) is 3-(4-amino-2-methylbutan-2-yl)imidazo[1,5-a]pyridine-1-carboxylic acid.
What is the SMILES notation for 3-(4-amino-2-methylbutan-2-yl)imidazo[1,5-a]pyridine-1-carboxylic acid?
The canonical SMILES for 3-(4-amino-2-methylbutan-2-yl)imidazo[1,5-a]pyridine-1-carboxylic acid is CC(C)(CCN)c1nc(C(=O)O)c2ccccn12.
What is the InChIKey of 3-(4-amino-2-methylbutan-2-yl)imidazo[1,5-a]pyridine-1-carboxylic acid?
The InChIKey is XEQNJMBEEGCRST-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O2/c1-13(2,6-7-14)12-15-10(11(17)18)9-5-3-4-8-16(9)12/h3-5,8H,6-7,14H2,1-2H3,(H,17,18).
What are the key properties of 3-(4-amino-2-methylbutan-2-yl)imidazo[1,5-a]pyridine-1-carboxylic acid?
3-(4-amino-2-methylbutan-2-yl)imidazo[1,5-a]pyridine-1-carboxylic acid has a molecular weight of 247.30 g/mol, XLogP of 1.66, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-amino-2-methylbutan-2-yl)imidazo[1,5-a]pyridine-1-carboxylic acid is sourced from PubChem (CID 116984015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).