3-propan-2-yl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-8-carboxylic acid

C11H16N2O2 — CID 83834118

IUPAC3-propan-2-yl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-8-carboxylic acid
SMILESCC(C)c1ncc2n1CCCC2C(=O)O
InChIInChI=1S/C11H16N2O2/c1-7(2)10-12-6-9-8(11(14)15)4-3-5-13(9)10/h6-8H,3-5H2,1-2H3,(H,14,15)
InChIKeyXQRBWZJHZLDXQL-UHFFFAOYSA-N
MW208.26 g/mol
LogP1.97
Rot. Bonds2

About 3-propan-2-yl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-8-carboxylic acid

3-propan-2-yl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-8-carboxylic acid (PubChem CID 83834118) has the molecular formula C11H16N2O2 and a molecular weight of 208.26 g/mol. Its IUPAC name is 3-propan-2-yl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-8-carboxylic acid.

Molecular Properties

Compound Name3-propan-2-yl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-8-carboxylic acid
PubChem CID83834118
Molecular FormulaC11H16N2O2
Molecular Weight208.26 g/mol
Exact Mass208.12
IUPAC Name3-propan-2-yl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-8-carboxylic acid
SMILESCC(C)c1ncc2n1CCCC2C(=O)O
InChIInChI=1S/C11H16N2O2/c1-7(2)10-12-6-9-8(11(14)15)4-3-5-13(9)10/h6-8H,3-5H2,1-2H3,(H,14,15)
InChIKeyXQRBWZJHZLDXQL-UHFFFAOYSA-N
XLogP1.97
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-propan-2-yl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-8-carboxylic acid?
The IUPAC name of 3-propan-2-yl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-8-carboxylic acid (CID 83834118) is 3-propan-2-yl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-8-carboxylic acid.
What is the SMILES notation for 3-propan-2-yl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-8-carboxylic acid?
The canonical SMILES for 3-propan-2-yl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-8-carboxylic acid is CC(C)c1ncc2n1CCCC2C(=O)O.
What is the InChIKey of 3-propan-2-yl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-8-carboxylic acid?
The InChIKey is XQRBWZJHZLDXQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O2/c1-7(2)10-12-6-9-8(11(14)15)4-3-5-13(9)10/h6-8H,3-5H2,1-2H3,(H,14,15).
What are the key properties of 3-propan-2-yl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-8-carboxylic acid?
3-propan-2-yl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-8-carboxylic acid has a molecular weight of 208.26 g/mol, XLogP of 1.97, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propan-2-yl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-8-carboxylic acid is sourced from PubChem (CID 83834118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).