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

C14H18N2O2 — CID 13206159

IUPAC6-(3-methylimidazo[1,5-a]pyridin-5-yl)hexanoic acid
SMILESCc1ncc2cccc(CCCCCC(=O)O)n12
InChIInChI=1S/C14H18N2O2/c1-11-15-10-13-8-5-7-12(16(11)13)6-3-2-4-9-14(17)18/h5,7-8,10H,2-4,6,9H2,1H3,(H,17,18)
InChIKeyDBEWVBGJOIZFEP-UHFFFAOYSA-N
MW246.31 g/mol
LogP2.83
Rot. Bonds6

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

6-(3-methylimidazo[1,5-a]pyridin-5-yl)hexanoic acid (PubChem CID 13206159) has the molecular formula C14H18N2O2 and a molecular weight of 246.31 g/mol. Its IUPAC name is 6-(3-methylimidazo[1,5-a]pyridin-5-yl)hexanoic acid.

Molecular Properties

Compound Name6-(3-methylimidazo[1,5-a]pyridin-5-yl)hexanoic acid
PubChem CID13206159
Molecular FormulaC14H18N2O2
Molecular Weight246.31 g/mol
Exact Mass246.14
IUPAC Name6-(3-methylimidazo[1,5-a]pyridin-5-yl)hexanoic acid
SMILESCc1ncc2cccc(CCCCCC(=O)O)n12
InChIInChI=1S/C14H18N2O2/c1-11-15-10-13-8-5-7-12(16(11)13)6-3-2-4-9-14(17)18/h5,7-8,10H,2-4,6,9H2,1H3,(H,17,18)
InChIKeyDBEWVBGJOIZFEP-UHFFFAOYSA-N
XLogP2.83
TPSA54.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 6-(3-methylimidazo[1,5-a]pyridin-5-yl)hexanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-(3-methylimidazo[1,5-a]pyridin-5-yl)hexanoic acid?
The IUPAC name of 6-(3-methylimidazo[1,5-a]pyridin-5-yl)hexanoic acid (CID 13206159) is 6-(3-methylimidazo[1,5-a]pyridin-5-yl)hexanoic acid.
What is the SMILES notation for 6-(3-methylimidazo[1,5-a]pyridin-5-yl)hexanoic acid?
The canonical SMILES for 6-(3-methylimidazo[1,5-a]pyridin-5-yl)hexanoic acid is Cc1ncc2cccc(CCCCCC(=O)O)n12.
What is the InChIKey of 6-(3-methylimidazo[1,5-a]pyridin-5-yl)hexanoic acid?
The InChIKey is DBEWVBGJOIZFEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2/c1-11-15-10-13-8-5-7-12(16(11)13)6-3-2-4-9-14(17)18/h5,7-8,10H,2-4,6,9H2,1H3,(H,17,18).
What are the key properties of 6-(3-methylimidazo[1,5-a]pyridin-5-yl)hexanoic acid?
6-(3-methylimidazo[1,5-a]pyridin-5-yl)hexanoic acid has a molecular weight of 246.31 g/mol, XLogP of 2.83, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-methylimidazo[1,5-a]pyridin-5-yl)hexanoic acid is sourced from PubChem (CID 13206159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).