2-(3-ethyl-6-methylimidazo[1,5-a]pyridin-1-yl)propanoic acid

C13H16N2O2 — CID 83895206

IUPAC2-(3-ethyl-6-methylimidazo[1,5-a]pyridin-1-yl)propanoic acid
SMILESCCc1nc(C(C)C(=O)O)c2ccc(C)cn12
InChIInChI=1S/C13H16N2O2/c1-4-11-14-12(9(3)13(16)17)10-6-5-8(2)7-15(10)11/h5-7,9H,4H2,1-3H3,(H,16,17)
InChIKeyLOAPYSHHQIIWIE-UHFFFAOYSA-N
MW232.28 g/mol
LogP2.39
Rot. Bonds3

About 2-(3-ethyl-6-methylimidazo[1,5-a]pyridin-1-yl)propanoic acid

2-(3-ethyl-6-methylimidazo[1,5-a]pyridin-1-yl)propanoic acid (PubChem CID 83895206) has the molecular formula C13H16N2O2 and a molecular weight of 232.28 g/mol. Its IUPAC name is 2-(3-ethyl-6-methylimidazo[1,5-a]pyridin-1-yl)propanoic acid.

Molecular Properties

Compound Name2-(3-ethyl-6-methylimidazo[1,5-a]pyridin-1-yl)propanoic acid
PubChem CID83895206
Molecular FormulaC13H16N2O2
Molecular Weight232.28 g/mol
Exact Mass232.12
IUPAC Name2-(3-ethyl-6-methylimidazo[1,5-a]pyridin-1-yl)propanoic acid
SMILESCCc1nc(C(C)C(=O)O)c2ccc(C)cn12
InChIInChI=1S/C13H16N2O2/c1-4-11-14-12(9(3)13(16)17)10-6-5-8(2)7-15(10)11/h5-7,9H,4H2,1-3H3,(H,16,17)
InChIKeyLOAPYSHHQIIWIE-UHFFFAOYSA-N
XLogP2.39
TPSA54.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3-ethyl-6-methylimidazo[1,5-a]pyridin-1-yl)propanoic acid?
The IUPAC name of 2-(3-ethyl-6-methylimidazo[1,5-a]pyridin-1-yl)propanoic acid (CID 83895206) is 2-(3-ethyl-6-methylimidazo[1,5-a]pyridin-1-yl)propanoic acid.
What is the SMILES notation for 2-(3-ethyl-6-methylimidazo[1,5-a]pyridin-1-yl)propanoic acid?
The canonical SMILES for 2-(3-ethyl-6-methylimidazo[1,5-a]pyridin-1-yl)propanoic acid is CCc1nc(C(C)C(=O)O)c2ccc(C)cn12.
What is the InChIKey of 2-(3-ethyl-6-methylimidazo[1,5-a]pyridin-1-yl)propanoic acid?
The InChIKey is LOAPYSHHQIIWIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O2/c1-4-11-14-12(9(3)13(16)17)10-6-5-8(2)7-15(10)11/h5-7,9H,4H2,1-3H3,(H,16,17).
What are the key properties of 2-(3-ethyl-6-methylimidazo[1,5-a]pyridin-1-yl)propanoic acid?
2-(3-ethyl-6-methylimidazo[1,5-a]pyridin-1-yl)propanoic acid has a molecular weight of 232.28 g/mol, XLogP of 2.39, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethyl-6-methylimidazo[1,5-a]pyridin-1-yl)propanoic acid is sourced from PubChem (CID 83895206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).