ethyl 1-(2-cyanoethyl)-6-(furan-2-yl)-3-methylpyrazolo[5,4-b]pyridine-4-carboxylate

C17H16N4O3 — CID 2381956

IUPACethyl 1-(2-cyanoethyl)-6-(furan-2-yl)-3-methylpyrazolo[5,4-b]pyridine-4-carboxylate
SMILESCCOC(=O)c1cc(-c2ccco2)nc2c1c(C)nn2CCC#N
InChIInChI=1S/C17H16N4O3/c1-3-23-17(22)12-10-13(14-6-4-9-24-14)19-16-15(12)11(2)20-21(16)8-5-7-18/h4,6,9-10H,3,5,8H2,1-2H3
InChIKeyGEYQVKFQQIYITE-UHFFFAOYSA-N
MW324.34 g/mol
LogP3.09
Rot. Bonds5

About ethyl 1-(2-cyanoethyl)-6-(furan-2-yl)-3-methylpyrazolo[5,4-b]pyridine-4-carboxylate

ethyl 1-(2-cyanoethyl)-6-(furan-2-yl)-3-methylpyrazolo[5,4-b]pyridine-4-carboxylate (PubChem CID 2381956) has the molecular formula C17H16N4O3 and a molecular weight of 324.34 g/mol. Its IUPAC name is ethyl 1-(2-cyanoethyl)-6-(furan-2-yl)-3-methylpyrazolo[5,4-b]pyridine-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-(2-cyanoethyl)-6-(furan-2-yl)-3-methylpyrazolo[5,4-b]pyridine-4-carboxylate
PubChem CID2381956
Molecular FormulaC17H16N4O3
Molecular Weight324.34 g/mol
Exact Mass324.12
IUPAC Nameethyl 1-(2-cyanoethyl)-6-(furan-2-yl)-3-methylpyrazolo[5,4-b]pyridine-4-carboxylate
SMILESCCOC(=O)c1cc(-c2ccco2)nc2c1c(C)nn2CCC#N
InChIInChI=1S/C17H16N4O3/c1-3-23-17(22)12-10-13(14-6-4-9-24-14)19-16-15(12)11(2)20-21(16)8-5-7-18/h4,6,9-10H,3,5,8H2,1-2H3
InChIKeyGEYQVKFQQIYITE-UHFFFAOYSA-N
XLogP3.09
TPSA93.94 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.34
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze ethyl 1-(2-cyanoethyl)-6-(furan-2-yl)-3-methylpyrazolo[5,4-b]pyridine-4-carboxylate 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 ethyl 1-(2-cyanoethyl)-6-(furan-2-yl)-3-methylpyrazolo[5,4-b]pyridine-4-carboxylate?
The IUPAC name of ethyl 1-(2-cyanoethyl)-6-(furan-2-yl)-3-methylpyrazolo[5,4-b]pyridine-4-carboxylate (CID 2381956) is ethyl 1-(2-cyanoethyl)-6-(furan-2-yl)-3-methylpyrazolo[5,4-b]pyridine-4-carboxylate.
What is the SMILES notation for ethyl 1-(2-cyanoethyl)-6-(furan-2-yl)-3-methylpyrazolo[5,4-b]pyridine-4-carboxylate?
The canonical SMILES for ethyl 1-(2-cyanoethyl)-6-(furan-2-yl)-3-methylpyrazolo[5,4-b]pyridine-4-carboxylate is CCOC(=O)c1cc(-c2ccco2)nc2c1c(C)nn2CCC#N.
What is the InChIKey of ethyl 1-(2-cyanoethyl)-6-(furan-2-yl)-3-methylpyrazolo[5,4-b]pyridine-4-carboxylate?
The InChIKey is GEYQVKFQQIYITE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O3/c1-3-23-17(22)12-10-13(14-6-4-9-24-14)19-16-15(12)11(2)20-21(16)8-5-7-18/h4,6,9-10H,3,5,8H2,1-2H3.
What are the key properties of ethyl 1-(2-cyanoethyl)-6-(furan-2-yl)-3-methylpyrazolo[5,4-b]pyridine-4-carboxylate?
ethyl 1-(2-cyanoethyl)-6-(furan-2-yl)-3-methylpyrazolo[5,4-b]pyridine-4-carboxylate has a molecular weight of 324.34 g/mol, XLogP of 3.09, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(2-cyanoethyl)-6-(furan-2-yl)-3-methylpyrazolo[5,4-b]pyridine-4-carboxylate is sourced from PubChem (CID 2381956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).