4-(6-methylimidazo[1,5-a]pyridin-3-yl)butanoic acid

C12H14N2O2 — CID 84740194

IUPAC4-(6-methylimidazo[1,5-a]pyridin-3-yl)butanoic acid
SMILESCc1ccc2cnc(CCCC(=O)O)n2c1
InChIInChI=1S/C12H14N2O2/c1-9-5-6-10-7-13-11(14(10)8-9)3-2-4-12(15)16/h5-8H,2-4H2,1H3,(H,15,16)
InChIKeyJZZWVWLWELNYCZ-UHFFFAOYSA-N
MW218.26 g/mol
LogP2.05
Rot. Bonds4

About 4-(6-methylimidazo[1,5-a]pyridin-3-yl)butanoic acid

4-(6-methylimidazo[1,5-a]pyridin-3-yl)butanoic acid (PubChem CID 84740194) has the molecular formula C12H14N2O2 and a molecular weight of 218.26 g/mol. Its IUPAC name is 4-(6-methylimidazo[1,5-a]pyridin-3-yl)butanoic acid.

Molecular Properties

Compound Name4-(6-methylimidazo[1,5-a]pyridin-3-yl)butanoic acid
PubChem CID84740194
Molecular FormulaC12H14N2O2
Molecular Weight218.26 g/mol
Exact Mass218.11
IUPAC Name4-(6-methylimidazo[1,5-a]pyridin-3-yl)butanoic acid
SMILESCc1ccc2cnc(CCCC(=O)O)n2c1
InChIInChI=1S/C12H14N2O2/c1-9-5-6-10-7-13-11(14(10)8-9)3-2-4-12(15)16/h5-8H,2-4H2,1H3,(H,15,16)
InChIKeyJZZWVWLWELNYCZ-UHFFFAOYSA-N
XLogP2.05
TPSA54.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.26
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(6-methylimidazo[1,5-a]pyridin-3-yl)butanoic acid?
The IUPAC name of 4-(6-methylimidazo[1,5-a]pyridin-3-yl)butanoic acid (CID 84740194) is 4-(6-methylimidazo[1,5-a]pyridin-3-yl)butanoic acid.
What is the SMILES notation for 4-(6-methylimidazo[1,5-a]pyridin-3-yl)butanoic acid?
The canonical SMILES for 4-(6-methylimidazo[1,5-a]pyridin-3-yl)butanoic acid is Cc1ccc2cnc(CCCC(=O)O)n2c1.
What is the InChIKey of 4-(6-methylimidazo[1,5-a]pyridin-3-yl)butanoic acid?
The InChIKey is JZZWVWLWELNYCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O2/c1-9-5-6-10-7-13-11(14(10)8-9)3-2-4-12(15)16/h5-8H,2-4H2,1H3,(H,15,16).
What are the key properties of 4-(6-methylimidazo[1,5-a]pyridin-3-yl)butanoic acid?
4-(6-methylimidazo[1,5-a]pyridin-3-yl)butanoic acid has a molecular weight of 218.26 g/mol, XLogP of 2.05, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-methylimidazo[1,5-a]pyridin-3-yl)butanoic acid is sourced from PubChem (CID 84740194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).