ethyl 6-(5-chlorothiophen-2-yl)-1-(pyridin-4-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxylate

C19H15ClN4O2S — CID 71601643

About ethyl 6-(5-chlorothiophen-2-yl)-1-(pyridin-4-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxylate

ethyl 6-(5-chlorothiophen-2-yl)-1-(pyridin-4-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxylate (PubChem CID 71601643) has the molecular formula C19H15ClN4O2S and a molecular weight of 398.88 g/mol. Its IUPAC name is ethyl 6-(5-chlorothiophen-2-yl)-1-(pyridin-4-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxylate.

Molecular Properties

• Compound Name: ethyl 6-(5-chlorothiophen-2-yl)-1-(pyridin-4-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxylate
• PubChem CID: 71601643
• Molecular Formula: C19H15ClN4O2S
• Molecular Weight: 398.88 g/mol
• Exact Mass: 398.06
• IUPAC Name: ethyl 6-(5-chlorothiophen-2-yl)-1-(pyridin-4-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxylate
• SMILES: CCOC(=O)c1cc(-c2ccc(Cl)s2)nc2c1cnn2Cc1ccncc1
• InChI: InChI=1S/C19H15ClN4O2S/c1-2-26-19(25)13-9-15(16-3-4-17(20)27-16)23-18-14(13)10-22-24(18)11-12-5-7-21-8-6-12/h3-10H,2,11H2,1H3
• InChIKey: WNMAZPWVDNSXCI-UHFFFAOYSA-N
• XLogP: 4.43
• TPSA: 69.90 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	398.88
LogP ≤ 5	4.43
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of ethyl 6-(5-chlorothiophen-2-yl)-1-(pyridin-4-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxylate?

The IUPAC name of ethyl 6-(5-chlorothiophen-2-yl)-1-(pyridin-4-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxylate (CID 71601643) is ethyl 6-(5-chlorothiophen-2-yl)-1-(pyridin-4-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxylate.

What is the SMILES notation for ethyl 6-(5-chlorothiophen-2-yl)-1-(pyridin-4-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxylate?

The canonical SMILES for ethyl 6-(5-chlorothiophen-2-yl)-1-(pyridin-4-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxylate is CCOC(=O)c1cc(-c2ccc(Cl)s2)nc2c1cnn2Cc1ccncc1.

What is the InChIKey of ethyl 6-(5-chlorothiophen-2-yl)-1-(pyridin-4-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxylate?

The InChIKey is WNMAZPWVDNSXCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15ClN4O2S/c1-2-26-19(25)13-9-15(16-3-4-17(20)27-16)23-18-14(13)10-22-24(18)11-12-5-7-21-8-6-12/h3-10H,2,11H2,1H3.

What are the key properties of ethyl 6-(5-chlorothiophen-2-yl)-1-(pyridin-4-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxylate?

ethyl 6-(5-chlorothiophen-2-yl)-1-(pyridin-4-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxylate has a molecular weight of 398.88 g/mol, XLogP of 4.43, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for ethyl 6-(5-chlorothiophen-2-yl)-1-(pyridin-4-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxylate is sourced from PubChem (CID 71601643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).