ethyl 3-methyl-1-pyridin-2-yl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxylate

C19H16N4O2S — CID 3583690

IUPACethyl 3-methyl-1-pyridin-2-yl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxylate
SMILESCCOC(=O)c1cc(-c2cccs2)nc2c1c(C)nn2-c1ccccn1
InChIInChI=1S/C19H16N4O2S/c1-3-25-19(24)13-11-14(15-7-6-10-26-15)21-18-17(13)12(2)22-23(18)16-8-4-5-9-20-16/h4-11H,3H2,1-2H3
InChIKeyHCUFUIAOECNGFY-UHFFFAOYSA-N
MW364.43 g/mol
LogP4.03
Rot. Bonds4

About ethyl 3-methyl-1-pyridin-2-yl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxylate

ethyl 3-methyl-1-pyridin-2-yl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxylate (PubChem CID 3583690) has the molecular formula C19H16N4O2S and a molecular weight of 364.43 g/mol. Its IUPAC name is ethyl 3-methyl-1-pyridin-2-yl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxylate.

Molecular Properties

Compound Nameethyl 3-methyl-1-pyridin-2-yl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxylate
PubChem CID3583690
Molecular FormulaC19H16N4O2S
Molecular Weight364.43 g/mol
Exact Mass364.10
IUPAC Nameethyl 3-methyl-1-pyridin-2-yl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxylate
SMILESCCOC(=O)c1cc(-c2cccs2)nc2c1c(C)nn2-c1ccccn1
InChIInChI=1S/C19H16N4O2S/c1-3-25-19(24)13-11-14(15-7-6-10-26-15)21-18-17(13)12(2)22-23(18)16-8-4-5-9-20-16/h4-11H,3H2,1-2H3
InChIKeyHCUFUIAOECNGFY-UHFFFAOYSA-N
XLogP4.03
TPSA69.90 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.43
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze ethyl 3-methyl-1-pyridin-2-yl-6-thiophen-2-ylpyrazolo[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 3-methyl-1-pyridin-2-yl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxylate?
The IUPAC name of ethyl 3-methyl-1-pyridin-2-yl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxylate (CID 3583690) is ethyl 3-methyl-1-pyridin-2-yl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxylate.
What is the SMILES notation for ethyl 3-methyl-1-pyridin-2-yl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxylate?
The canonical SMILES for ethyl 3-methyl-1-pyridin-2-yl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxylate is CCOC(=O)c1cc(-c2cccs2)nc2c1c(C)nn2-c1ccccn1.
What is the InChIKey of ethyl 3-methyl-1-pyridin-2-yl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxylate?
The InChIKey is HCUFUIAOECNGFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N4O2S/c1-3-25-19(24)13-11-14(15-7-6-10-26-15)21-18-17(13)12(2)22-23(18)16-8-4-5-9-20-16/h4-11H,3H2,1-2H3.
What are the key properties of ethyl 3-methyl-1-pyridin-2-yl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxylate?
ethyl 3-methyl-1-pyridin-2-yl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxylate has a molecular weight of 364.43 g/mol, XLogP of 4.03, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-methyl-1-pyridin-2-yl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxylate is sourced from PubChem (CID 3583690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).