2-(2,5-dimethylpyrazol-3-yl)oxyimidazo[1,2-a]pyridine-3-carboxylic acid

C13H12N4O3 — CID 81341440

IUPAC2-(2,5-dimethylpyrazol-3-yl)oxyimidazo[1,2-a]pyridine-3-carboxylic acid
SMILESCc1cc(Oc2nc3ccccn3c2C(=O)O)n(C)n1
InChIInChI=1S/C13H12N4O3/c1-8-7-10(16(2)15-8)20-12-11(13(18)19)17-6-4-3-5-9(17)14-12/h3-7H,1-2H3,(H,18,19)
InChIKeyGXBMKUDCNNMNBU-UHFFFAOYSA-N
MW272.26 g/mol
LogP1.87
Rot. Bonds3

About 2-(2,5-dimethylpyrazol-3-yl)oxyimidazo[1,2-a]pyridine-3-carboxylic acid

2-(2,5-dimethylpyrazol-3-yl)oxyimidazo[1,2-a]pyridine-3-carboxylic acid (PubChem CID 81341440) has the molecular formula C13H12N4O3 and a molecular weight of 272.26 g/mol. Its IUPAC name is 2-(2,5-dimethylpyrazol-3-yl)oxyimidazo[1,2-a]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-(2,5-dimethylpyrazol-3-yl)oxyimidazo[1,2-a]pyridine-3-carboxylic acid
PubChem CID81341440
Molecular FormulaC13H12N4O3
Molecular Weight272.26 g/mol
Exact Mass272.09
IUPAC Name2-(2,5-dimethylpyrazol-3-yl)oxyimidazo[1,2-a]pyridine-3-carboxylic acid
SMILESCc1cc(Oc2nc3ccccn3c2C(=O)O)n(C)n1
InChIInChI=1S/C13H12N4O3/c1-8-7-10(16(2)15-8)20-12-11(13(18)19)17-6-4-3-5-9(17)14-12/h3-7H,1-2H3,(H,18,19)
InChIKeyGXBMKUDCNNMNBU-UHFFFAOYSA-N
XLogP1.87
TPSA81.65 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.26
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dimethylpyrazol-3-yl)oxyimidazo[1,2-a]pyridine-3-carboxylic acid?
The IUPAC name of 2-(2,5-dimethylpyrazol-3-yl)oxyimidazo[1,2-a]pyridine-3-carboxylic acid (CID 81341440) is 2-(2,5-dimethylpyrazol-3-yl)oxyimidazo[1,2-a]pyridine-3-carboxylic acid.
What is the SMILES notation for 2-(2,5-dimethylpyrazol-3-yl)oxyimidazo[1,2-a]pyridine-3-carboxylic acid?
The canonical SMILES for 2-(2,5-dimethylpyrazol-3-yl)oxyimidazo[1,2-a]pyridine-3-carboxylic acid is Cc1cc(Oc2nc3ccccn3c2C(=O)O)n(C)n1.
What is the InChIKey of 2-(2,5-dimethylpyrazol-3-yl)oxyimidazo[1,2-a]pyridine-3-carboxylic acid?
The InChIKey is GXBMKUDCNNMNBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N4O3/c1-8-7-10(16(2)15-8)20-12-11(13(18)19)17-6-4-3-5-9(17)14-12/h3-7H,1-2H3,(H,18,19).
What are the key properties of 2-(2,5-dimethylpyrazol-3-yl)oxyimidazo[1,2-a]pyridine-3-carboxylic acid?
2-(2,5-dimethylpyrazol-3-yl)oxyimidazo[1,2-a]pyridine-3-carboxylic acid has a molecular weight of 272.26 g/mol, XLogP of 1.87, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dimethylpyrazol-3-yl)oxyimidazo[1,2-a]pyridine-3-carboxylic acid is sourced from PubChem (CID 81341440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).