ethyl 6-pyrazol-1-ylimidazo[1,2-a]pyridine-2-carboxylate

C13H12N4O2 — CID 59376274

IUPACethyl 6-pyrazol-1-ylimidazo[1,2-a]pyridine-2-carboxylate
SMILESCCOC(=O)c1cn2cc(-n3cccn3)ccc2n1
InChIInChI=1S/C13H12N4O2/c1-2-19-13(18)11-9-16-8-10(4-5-12(16)15-11)17-7-3-6-14-17/h3-9H,2H2,1H3
InChIKeyMNSGEMJXSZYDJZ-UHFFFAOYSA-N
MW256.26 g/mol
LogP1.70
Rot. Bonds3

About ethyl 6-pyrazol-1-ylimidazo[1,2-a]pyridine-2-carboxylate

ethyl 6-pyrazol-1-ylimidazo[1,2-a]pyridine-2-carboxylate (PubChem CID 59376274) has the molecular formula C13H12N4O2 and a molecular weight of 256.26 g/mol. Its IUPAC name is ethyl 6-pyrazol-1-ylimidazo[1,2-a]pyridine-2-carboxylate.

Molecular Properties

Compound Nameethyl 6-pyrazol-1-ylimidazo[1,2-a]pyridine-2-carboxylate
PubChem CID59376274
Molecular FormulaC13H12N4O2
Molecular Weight256.26 g/mol
Exact Mass256.10
IUPAC Nameethyl 6-pyrazol-1-ylimidazo[1,2-a]pyridine-2-carboxylate
SMILESCCOC(=O)c1cn2cc(-n3cccn3)ccc2n1
InChIInChI=1S/C13H12N4O2/c1-2-19-13(18)11-9-16-8-10(4-5-12(16)15-11)17-7-3-6-14-17/h3-9H,2H2,1H3
InChIKeyMNSGEMJXSZYDJZ-UHFFFAOYSA-N
XLogP1.70
TPSA61.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.26
LogP ≤ 51.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 6-pyrazol-1-ylimidazo[1,2-a]pyridine-2-carboxylate?
The IUPAC name of ethyl 6-pyrazol-1-ylimidazo[1,2-a]pyridine-2-carboxylate (CID 59376274) is ethyl 6-pyrazol-1-ylimidazo[1,2-a]pyridine-2-carboxylate.
What is the SMILES notation for ethyl 6-pyrazol-1-ylimidazo[1,2-a]pyridine-2-carboxylate?
The canonical SMILES for ethyl 6-pyrazol-1-ylimidazo[1,2-a]pyridine-2-carboxylate is CCOC(=O)c1cn2cc(-n3cccn3)ccc2n1.
What is the InChIKey of ethyl 6-pyrazol-1-ylimidazo[1,2-a]pyridine-2-carboxylate?
The InChIKey is MNSGEMJXSZYDJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N4O2/c1-2-19-13(18)11-9-16-8-10(4-5-12(16)15-11)17-7-3-6-14-17/h3-9H,2H2,1H3.
What are the key properties of ethyl 6-pyrazol-1-ylimidazo[1,2-a]pyridine-2-carboxylate?
ethyl 6-pyrazol-1-ylimidazo[1,2-a]pyridine-2-carboxylate has a molecular weight of 256.26 g/mol, XLogP of 1.70, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-pyrazol-1-ylimidazo[1,2-a]pyridine-2-carboxylate is sourced from PubChem (CID 59376274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).