3-(7-methoxycarbonyl-3-oxo-2H-pyrazolo[4,3-c]pyridin-5-yl)-3-thiophen-3-ylpropanoic acid

C15H13N3O5S — CID 128963233

About 3-(7-methoxycarbonyl-3-oxo-2H-pyrazolo[4,3-c]pyridin-5-yl)-3-thiophen-3-ylpropanoic acid

3-(7-methoxycarbonyl-3-oxo-2H-pyrazolo[4,3-c]pyridin-5-yl)-3-thiophen-3-ylpropanoic acid (PubChem CID 128963233) has the molecular formula C15H13N3O5S and a molecular weight of 347.35 g/mol. Its IUPAC name is 3-(7-methoxycarbonyl-3-oxo-2H-pyrazolo[4,3-c]pyridin-5-yl)-3-thiophen-3-ylpropanoic acid.

Molecular Properties

• Compound Name: 3-(7-methoxycarbonyl-3-oxo-2H-pyrazolo[4,3-c]pyridin-5-yl)-3-thiophen-3-ylpropanoic acid
• PubChem CID: 128963233
• Molecular Formula: C15H13N3O5S
• Molecular Weight: 347.35 g/mol
• Exact Mass: 347.06
• IUPAC Name: 3-(7-methoxycarbonyl-3-oxo-2H-pyrazolo[4,3-c]pyridin-5-yl)-3-thiophen-3-ylpropanoic acid
• SMILES: COC(=O)c1cn(C(CC(=O)O)c2ccsc2)cc2c(=O)[nH]nc1-2
• InChI: InChI=1S/C15H13N3O5S/c1-23-15(22)10-6-18(5-9-13(10)16-17-14(9)21)11(4-12(19)20)8-2-3-24-7-8/h2-3,5-7,11H,4H2,1H3,(H,17,21)(H,19,20)
• InChIKey: ICWZDSSOFZUSTB-UHFFFAOYSA-N
• XLogP: 1.59
• TPSA: 114.28 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	347.35
LogP ≤ 5	1.59
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 3-(7-methoxycarbonyl-3-oxo-2H-pyrazolo[4,3-c]pyridin-5-yl)-3-thiophen-3-ylpropanoic acid?

The IUPAC name of 3-(7-methoxycarbonyl-3-oxo-2H-pyrazolo[4,3-c]pyridin-5-yl)-3-thiophen-3-ylpropanoic acid (CID 128963233) is 3-(7-methoxycarbonyl-3-oxo-2H-pyrazolo[4,3-c]pyridin-5-yl)-3-thiophen-3-ylpropanoic acid.

What is the SMILES notation for 3-(7-methoxycarbonyl-3-oxo-2H-pyrazolo[4,3-c]pyridin-5-yl)-3-thiophen-3-ylpropanoic acid?

The canonical SMILES for 3-(7-methoxycarbonyl-3-oxo-2H-pyrazolo[4,3-c]pyridin-5-yl)-3-thiophen-3-ylpropanoic acid is COC(=O)c1cn(C(CC(=O)O)c2ccsc2)cc2c(=O)[nH]nc1-2.

What is the InChIKey of 3-(7-methoxycarbonyl-3-oxo-2H-pyrazolo[4,3-c]pyridin-5-yl)-3-thiophen-3-ylpropanoic acid?

The InChIKey is ICWZDSSOFZUSTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O5S/c1-23-15(22)10-6-18(5-9-13(10)16-17-14(9)21)11(4-12(19)20)8-2-3-24-7-8/h2-3,5-7,11H,4H2,1H3,(H,17,21)(H,19,20).

What are the key properties of 3-(7-methoxycarbonyl-3-oxo-2H-pyrazolo[4,3-c]pyridin-5-yl)-3-thiophen-3-ylpropanoic acid?

3-(7-methoxycarbonyl-3-oxo-2H-pyrazolo[4,3-c]pyridin-5-yl)-3-thiophen-3-ylpropanoic acid has a molecular weight of 347.35 g/mol, XLogP of 1.59, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(7-methoxycarbonyl-3-oxo-2H-pyrazolo[4,3-c]pyridin-5-yl)-3-thiophen-3-ylpropanoic acid is sourced from PubChem (CID 128963233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).