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

C12H14N2O2 — CID 83836470

IUPAC3-(3-methylimidazo[1,5-a]pyridin-6-yl)butanoic acid
SMILESCc1ncc2ccc(C(C)CC(=O)O)cn12
InChIInChI=1S/C12H14N2O2/c1-8(5-12(15)16)10-3-4-11-6-13-9(2)14(11)7-10/h3-4,6-8H,5H2,1-2H3,(H,15,16)
InChIKeyOLIMUEWTYNDEEN-UHFFFAOYSA-N
MW218.26 g/mol
LogP2.22
Rot. Bonds3

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

3-(3-methylimidazo[1,5-a]pyridin-6-yl)butanoic acid (PubChem CID 83836470) has the molecular formula C12H14N2O2 and a molecular weight of 218.26 g/mol. Its IUPAC name is 3-(3-methylimidazo[1,5-a]pyridin-6-yl)butanoic acid.

Molecular Properties

Compound Name3-(3-methylimidazo[1,5-a]pyridin-6-yl)butanoic acid
PubChem CID83836470
Molecular FormulaC12H14N2O2
Molecular Weight218.26 g/mol
Exact Mass218.11
IUPAC Name3-(3-methylimidazo[1,5-a]pyridin-6-yl)butanoic acid
SMILESCc1ncc2ccc(C(C)CC(=O)O)cn12
InChIInChI=1S/C12H14N2O2/c1-8(5-12(15)16)10-3-4-11-6-13-9(2)14(11)7-10/h3-4,6-8H,5H2,1-2H3,(H,15,16)
InChIKeyOLIMUEWTYNDEEN-UHFFFAOYSA-N
XLogP2.22
TPSA54.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.26
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(3-methylimidazo[1,5-a]pyridin-6-yl)butanoic acid?
The IUPAC name of 3-(3-methylimidazo[1,5-a]pyridin-6-yl)butanoic acid (CID 83836470) is 3-(3-methylimidazo[1,5-a]pyridin-6-yl)butanoic acid.
What is the SMILES notation for 3-(3-methylimidazo[1,5-a]pyridin-6-yl)butanoic acid?
The canonical SMILES for 3-(3-methylimidazo[1,5-a]pyridin-6-yl)butanoic acid is Cc1ncc2ccc(C(C)CC(=O)O)cn12.
What is the InChIKey of 3-(3-methylimidazo[1,5-a]pyridin-6-yl)butanoic acid?
The InChIKey is OLIMUEWTYNDEEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O2/c1-8(5-12(15)16)10-3-4-11-6-13-9(2)14(11)7-10/h3-4,6-8H,5H2,1-2H3,(H,15,16).
What are the key properties of 3-(3-methylimidazo[1,5-a]pyridin-6-yl)butanoic acid?
3-(3-methylimidazo[1,5-a]pyridin-6-yl)butanoic acid has a molecular weight of 218.26 g/mol, XLogP of 2.22, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methylimidazo[1,5-a]pyridin-6-yl)butanoic acid is sourced from PubChem (CID 83836470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).