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

C19H17ClN4O2 — CID 2088731

IUPACethyl 6-(4-chlorophenyl)-1-(2-cyanoethyl)-3-methylpyrazolo[5,4-b]pyridine-4-carboxylate
SMILESCCOC(=O)c1cc(-c2ccc(Cl)cc2)nc2c1c(C)nn2CCC#N
InChIInChI=1S/C19H17ClN4O2/c1-3-26-19(25)15-11-16(13-5-7-14(20)8-6-13)22-18-17(15)12(2)23-24(18)10-4-9-21/h5-8,11H,3-4,10H2,1-2H3
InChIKeyGFFSJPGNHMYUBB-UHFFFAOYSA-N
MW368.82 g/mol
LogP4.15
Rot. Bonds5

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

ethyl 6-(4-chlorophenyl)-1-(2-cyanoethyl)-3-methylpyrazolo[5,4-b]pyridine-4-carboxylate (PubChem CID 2088731) has the molecular formula C19H17ClN4O2 and a molecular weight of 368.82 g/mol. Its IUPAC name is ethyl 6-(4-chlorophenyl)-1-(2-cyanoethyl)-3-methylpyrazolo[5,4-b]pyridine-4-carboxylate.

Molecular Properties

Compound Nameethyl 6-(4-chlorophenyl)-1-(2-cyanoethyl)-3-methylpyrazolo[5,4-b]pyridine-4-carboxylate
PubChem CID2088731
Molecular FormulaC19H17ClN4O2
Molecular Weight368.82 g/mol
Exact Mass368.10
IUPAC Nameethyl 6-(4-chlorophenyl)-1-(2-cyanoethyl)-3-methylpyrazolo[5,4-b]pyridine-4-carboxylate
SMILESCCOC(=O)c1cc(-c2ccc(Cl)cc2)nc2c1c(C)nn2CCC#N
InChIInChI=1S/C19H17ClN4O2/c1-3-26-19(25)15-11-16(13-5-7-14(20)8-6-13)22-18-17(15)12(2)23-24(18)10-4-9-21/h5-8,11H,3-4,10H2,1-2H3
InChIKeyGFFSJPGNHMYUBB-UHFFFAOYSA-N
XLogP4.15
TPSA80.80 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.82
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze ethyl 6-(4-chlorophenyl)-1-(2-cyanoethyl)-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 6-(4-chlorophenyl)-1-(2-cyanoethyl)-3-methylpyrazolo[5,4-b]pyridine-4-carboxylate?
The IUPAC name of ethyl 6-(4-chlorophenyl)-1-(2-cyanoethyl)-3-methylpyrazolo[5,4-b]pyridine-4-carboxylate (CID 2088731) is ethyl 6-(4-chlorophenyl)-1-(2-cyanoethyl)-3-methylpyrazolo[5,4-b]pyridine-4-carboxylate.
What is the SMILES notation for ethyl 6-(4-chlorophenyl)-1-(2-cyanoethyl)-3-methylpyrazolo[5,4-b]pyridine-4-carboxylate?
The canonical SMILES for ethyl 6-(4-chlorophenyl)-1-(2-cyanoethyl)-3-methylpyrazolo[5,4-b]pyridine-4-carboxylate is CCOC(=O)c1cc(-c2ccc(Cl)cc2)nc2c1c(C)nn2CCC#N.
What is the InChIKey of ethyl 6-(4-chlorophenyl)-1-(2-cyanoethyl)-3-methylpyrazolo[5,4-b]pyridine-4-carboxylate?
The InChIKey is GFFSJPGNHMYUBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClN4O2/c1-3-26-19(25)15-11-16(13-5-7-14(20)8-6-13)22-18-17(15)12(2)23-24(18)10-4-9-21/h5-8,11H,3-4,10H2,1-2H3.
What are the key properties of ethyl 6-(4-chlorophenyl)-1-(2-cyanoethyl)-3-methylpyrazolo[5,4-b]pyridine-4-carboxylate?
ethyl 6-(4-chlorophenyl)-1-(2-cyanoethyl)-3-methylpyrazolo[5,4-b]pyridine-4-carboxylate has a molecular weight of 368.82 g/mol, XLogP of 4.15, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-(4-chlorophenyl)-1-(2-cyanoethyl)-3-methylpyrazolo[5,4-b]pyridine-4-carboxylate is sourced from PubChem (CID 2088731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).