1-formyl-3-(2-methylpropyl)imidazo[1,5-a]pyridine-7-carboxylic acid

C13H14N2O3 — CID 84741781

IUPAC1-formyl-3-(2-methylpropyl)imidazo[1,5-a]pyridine-7-carboxylic acid
SMILESCC(C)Cc1nc(C=O)c2cc(C(=O)O)ccn12
InChIInChI=1S/C13H14N2O3/c1-8(2)5-12-14-10(7-16)11-6-9(13(17)18)3-4-15(11)12/h3-4,6-8H,5H2,1-2H3,(H,17,18)
InChIKeyHBDZNMTXNUUYHZ-UHFFFAOYSA-N
MW246.27 g/mol
LogP2.04
Rot. Bonds4

About 1-formyl-3-(2-methylpropyl)imidazo[1,5-a]pyridine-7-carboxylic acid

1-formyl-3-(2-methylpropyl)imidazo[1,5-a]pyridine-7-carboxylic acid (PubChem CID 84741781) has the molecular formula C13H14N2O3 and a molecular weight of 246.27 g/mol. Its IUPAC name is 1-formyl-3-(2-methylpropyl)imidazo[1,5-a]pyridine-7-carboxylic acid.

Molecular Properties

Compound Name1-formyl-3-(2-methylpropyl)imidazo[1,5-a]pyridine-7-carboxylic acid
PubChem CID84741781
Molecular FormulaC13H14N2O3
Molecular Weight246.27 g/mol
Exact Mass246.10
IUPAC Name1-formyl-3-(2-methylpropyl)imidazo[1,5-a]pyridine-7-carboxylic acid
SMILESCC(C)Cc1nc(C=O)c2cc(C(=O)O)ccn12
InChIInChI=1S/C13H14N2O3/c1-8(2)5-12-14-10(7-16)11-6-9(13(17)18)3-4-15(11)12/h3-4,6-8H,5H2,1-2H3,(H,17,18)
InChIKeyHBDZNMTXNUUYHZ-UHFFFAOYSA-N
XLogP2.04
TPSA71.67 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.27
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-formyl-3-(2-methylpropyl)imidazo[1,5-a]pyridine-7-carboxylic 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 1-formyl-3-(2-methylpropyl)imidazo[1,5-a]pyridine-7-carboxylic acid?
The IUPAC name of 1-formyl-3-(2-methylpropyl)imidazo[1,5-a]pyridine-7-carboxylic acid (CID 84741781) is 1-formyl-3-(2-methylpropyl)imidazo[1,5-a]pyridine-7-carboxylic acid.
What is the SMILES notation for 1-formyl-3-(2-methylpropyl)imidazo[1,5-a]pyridine-7-carboxylic acid?
The canonical SMILES for 1-formyl-3-(2-methylpropyl)imidazo[1,5-a]pyridine-7-carboxylic acid is CC(C)Cc1nc(C=O)c2cc(C(=O)O)ccn12.
What is the InChIKey of 1-formyl-3-(2-methylpropyl)imidazo[1,5-a]pyridine-7-carboxylic acid?
The InChIKey is HBDZNMTXNUUYHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O3/c1-8(2)5-12-14-10(7-16)11-6-9(13(17)18)3-4-15(11)12/h3-4,6-8H,5H2,1-2H3,(H,17,18).
What are the key properties of 1-formyl-3-(2-methylpropyl)imidazo[1,5-a]pyridine-7-carboxylic acid?
1-formyl-3-(2-methylpropyl)imidazo[1,5-a]pyridine-7-carboxylic acid has a molecular weight of 246.27 g/mol, XLogP of 2.04, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-formyl-3-(2-methylpropyl)imidazo[1,5-a]pyridine-7-carboxylic acid is sourced from PubChem (CID 84741781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).