3-cyclobutyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-6-carboxylic acid

C12H16N2O2 — CID 83641939

IUPAC3-cyclobutyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-6-carboxylic acid
SMILESO=C(O)C1CCc2cnc(C3CCC3)n2C1
InChIInChI=1S/C12H16N2O2/c15-12(16)9-4-5-10-6-13-11(14(10)7-9)8-2-1-3-8/h6,8-9H,1-5,7H2,(H,15,16)
InChIKeyCUPRBDAEFDURIE-UHFFFAOYSA-N
MW220.27 g/mol
LogP1.80
Rot. Bonds2

About 3-cyclobutyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-6-carboxylic acid

3-cyclobutyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-6-carboxylic acid (PubChem CID 83641939) has the molecular formula C12H16N2O2 and a molecular weight of 220.27 g/mol. Its IUPAC name is 3-cyclobutyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-6-carboxylic acid.

Molecular Properties

Compound Name3-cyclobutyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-6-carboxylic acid
PubChem CID83641939
Molecular FormulaC12H16N2O2
Molecular Weight220.27 g/mol
Exact Mass220.12
IUPAC Name3-cyclobutyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-6-carboxylic acid
SMILESO=C(O)C1CCc2cnc(C3CCC3)n2C1
InChIInChI=1S/C12H16N2O2/c15-12(16)9-4-5-10-6-13-11(14(10)7-9)8-2-1-3-8/h6,8-9H,1-5,7H2,(H,15,16)
InChIKeyCUPRBDAEFDURIE-UHFFFAOYSA-N
XLogP1.80
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.27
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-cyclobutyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-6-carboxylic acid?
The IUPAC name of 3-cyclobutyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-6-carboxylic acid (CID 83641939) is 3-cyclobutyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-6-carboxylic acid.
What is the SMILES notation for 3-cyclobutyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-6-carboxylic acid?
The canonical SMILES for 3-cyclobutyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-6-carboxylic acid is O=C(O)C1CCc2cnc(C3CCC3)n2C1.
What is the InChIKey of 3-cyclobutyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-6-carboxylic acid?
The InChIKey is CUPRBDAEFDURIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O2/c15-12(16)9-4-5-10-6-13-11(14(10)7-9)8-2-1-3-8/h6,8-9H,1-5,7H2,(H,15,16).
What are the key properties of 3-cyclobutyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-6-carboxylic acid?
3-cyclobutyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-6-carboxylic acid has a molecular weight of 220.27 g/mol, XLogP of 1.80, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclobutyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-6-carboxylic acid is sourced from PubChem (CID 83641939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).