ethyl 1-(pyridin-2-ylmethyl)-5-(2-thiophen-3-ylacetyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate

C21H22N4O3S — CID 26146169

About ethyl 1-(pyridin-2-ylmethyl)-5-(2-thiophen-3-ylacetyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate

ethyl 1-(pyridin-2-ylmethyl)-5-(2-thiophen-3-ylacetyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate (PubChem CID 26146169) has the molecular formula C21H22N4O3S and a molecular weight of 410.50 g/mol. Its IUPAC name is ethyl 1-(pyridin-2-ylmethyl)-5-(2-thiophen-3-ylacetyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate.

Molecular Properties

• Compound Name: ethyl 1-(pyridin-2-ylmethyl)-5-(2-thiophen-3-ylacetyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate
• PubChem CID: 26146169
• Molecular Formula: C21H22N4O3S
• Molecular Weight: 410.50 g/mol
• Exact Mass: 410.14
• IUPAC Name: ethyl 1-(pyridin-2-ylmethyl)-5-(2-thiophen-3-ylacetyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate
• SMILES: CCOC(=O)c1nn(Cc2ccccn2)c2c1CN(C(=O)Cc1ccsc1)CC2
• InChI: InChI=1S/C21H22N4O3S/c1-2-28-21(27)20-17-13-24(19(26)11-15-7-10-29-14-15)9-6-18(17)25(23-20)12-16-5-3-4-8-22-16/h3-5,7-8,10,14H,2,6,9,11-13H2,1H3
• InChIKey: UDSOLFTWTBACIL-UHFFFAOYSA-N
• XLogP: 2.69
• TPSA: 77.32 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	410.50
LogP ≤ 5	2.69
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of ethyl 1-(pyridin-2-ylmethyl)-5-(2-thiophen-3-ylacetyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate?

The IUPAC name of ethyl 1-(pyridin-2-ylmethyl)-5-(2-thiophen-3-ylacetyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate (CID 26146169) is ethyl 1-(pyridin-2-ylmethyl)-5-(2-thiophen-3-ylacetyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate.

What is the SMILES notation for ethyl 1-(pyridin-2-ylmethyl)-5-(2-thiophen-3-ylacetyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate?

The canonical SMILES for ethyl 1-(pyridin-2-ylmethyl)-5-(2-thiophen-3-ylacetyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate is CCOC(=O)c1nn(Cc2ccccn2)c2c1CN(C(=O)Cc1ccsc1)CC2.

What is the InChIKey of ethyl 1-(pyridin-2-ylmethyl)-5-(2-thiophen-3-ylacetyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate?

The InChIKey is UDSOLFTWTBACIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O3S/c1-2-28-21(27)20-17-13-24(19(26)11-15-7-10-29-14-15)9-6-18(17)25(23-20)12-16-5-3-4-8-22-16/h3-5,7-8,10,14H,2,6,9,11-13H2,1H3.

What are the key properties of ethyl 1-(pyridin-2-ylmethyl)-5-(2-thiophen-3-ylacetyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate?

ethyl 1-(pyridin-2-ylmethyl)-5-(2-thiophen-3-ylacetyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate has a molecular weight of 410.50 g/mol, XLogP of 2.69, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for ethyl 1-(pyridin-2-ylmethyl)-5-(2-thiophen-3-ylacetyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate is sourced from PubChem (CID 26146169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).