3-(3-methoxypropyl)imidazo[1,5-a]pyridine-5-carboxylic acid

C12H14N2O3 — CID 117142430

IUPAC3-(3-methoxypropyl)imidazo[1,5-a]pyridine-5-carboxylic acid
SMILESCOCCCc1ncc2cccc(C(=O)O)n12
InChIInChI=1S/C12H14N2O3/c1-17-7-3-6-11-13-8-9-4-2-5-10(12(15)16)14(9)11/h2,4-5,8H,3,6-7H2,1H3,(H,15,16)
InChIKeyLZQGXSKLAMPDKD-UHFFFAOYSA-N
MW234.25 g/mol
LogP1.61
Rot. Bonds5

About 3-(3-methoxypropyl)imidazo[1,5-a]pyridine-5-carboxylic acid

3-(3-methoxypropyl)imidazo[1,5-a]pyridine-5-carboxylic acid (PubChem CID 117142430) has the molecular formula C12H14N2O3 and a molecular weight of 234.25 g/mol. Its IUPAC name is 3-(3-methoxypropyl)imidazo[1,5-a]pyridine-5-carboxylic acid.

Molecular Properties

Compound Name3-(3-methoxypropyl)imidazo[1,5-a]pyridine-5-carboxylic acid
PubChem CID117142430
Molecular FormulaC12H14N2O3
Molecular Weight234.25 g/mol
Exact Mass234.10
IUPAC Name3-(3-methoxypropyl)imidazo[1,5-a]pyridine-5-carboxylic acid
SMILESCOCCCc1ncc2cccc(C(=O)O)n12
InChIInChI=1S/C12H14N2O3/c1-17-7-3-6-11-13-8-9-4-2-5-10(12(15)16)14(9)11/h2,4-5,8H,3,6-7H2,1H3,(H,15,16)
InChIKeyLZQGXSKLAMPDKD-UHFFFAOYSA-N
XLogP1.61
TPSA63.83 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.25
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(3-methoxypropyl)imidazo[1,5-a]pyridine-5-carboxylic acid?
The IUPAC name of 3-(3-methoxypropyl)imidazo[1,5-a]pyridine-5-carboxylic acid (CID 117142430) is 3-(3-methoxypropyl)imidazo[1,5-a]pyridine-5-carboxylic acid.
What is the SMILES notation for 3-(3-methoxypropyl)imidazo[1,5-a]pyridine-5-carboxylic acid?
The canonical SMILES for 3-(3-methoxypropyl)imidazo[1,5-a]pyridine-5-carboxylic acid is COCCCc1ncc2cccc(C(=O)O)n12.
What is the InChIKey of 3-(3-methoxypropyl)imidazo[1,5-a]pyridine-5-carboxylic acid?
The InChIKey is LZQGXSKLAMPDKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O3/c1-17-7-3-6-11-13-8-9-4-2-5-10(12(15)16)14(9)11/h2,4-5,8H,3,6-7H2,1H3,(H,15,16).
What are the key properties of 3-(3-methoxypropyl)imidazo[1,5-a]pyridine-5-carboxylic acid?
3-(3-methoxypropyl)imidazo[1,5-a]pyridine-5-carboxylic acid has a molecular weight of 234.25 g/mol, XLogP of 1.61, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methoxypropyl)imidazo[1,5-a]pyridine-5-carboxylic acid is sourced from PubChem (CID 117142430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).