[2-(dimethylamino)-2-oxo-1-phenylethyl] 1-ethyl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxylate

C23H22N4O3S — CID 46694189

About [2-(dimethylamino)-2-oxo-1-phenylethyl] 1-ethyl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxylate

[2-(dimethylamino)-2-oxo-1-phenylethyl] 1-ethyl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxylate (PubChem CID 46694189) has the molecular formula C23H22N4O3S and a molecular weight of 434.52 g/mol. Its IUPAC name is [2-(dimethylamino)-2-oxo-1-phenylethyl] 1-ethyl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxylate.

Molecular Properties

• Compound Name: [2-(dimethylamino)-2-oxo-1-phenylethyl] 1-ethyl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxylate
• PubChem CID: 46694189
• Molecular Formula: C23H22N4O3S
• Molecular Weight: 434.52 g/mol
• Exact Mass: 434.14
• IUPAC Name: [2-(dimethylamino)-2-oxo-1-phenylethyl] 1-ethyl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxylate
• SMILES: CCn1ncc2c(C(=O)OC(C(=O)N(C)C)c3ccccc3)cc(-c3cccs3)nc21
• InChI: InChI=1S/C23H22N4O3S/c1-4-27-21-17(14-24-27)16(13-18(25-21)19-11-8-12-31-19)23(29)30-20(22(28)26(2)3)15-9-6-5-7-10-15/h5-14,20H,4H2,1-3H3
• InChIKey: UZXYLFCCDNQWTQ-UHFFFAOYSA-N
• XLogP: 4.17
• TPSA: 77.32 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	434.52
LogP ≤ 5	4.17
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of [2-(dimethylamino)-2-oxo-1-phenylethyl] 1-ethyl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxylate?

The IUPAC name of [2-(dimethylamino)-2-oxo-1-phenylethyl] 1-ethyl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxylate (CID 46694189) is [2-(dimethylamino)-2-oxo-1-phenylethyl] 1-ethyl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxylate.

What is the SMILES notation for [2-(dimethylamino)-2-oxo-1-phenylethyl] 1-ethyl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxylate?

The canonical SMILES for [2-(dimethylamino)-2-oxo-1-phenylethyl] 1-ethyl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxylate is CCn1ncc2c(C(=O)OC(C(=O)N(C)C)c3ccccc3)cc(-c3cccs3)nc21.

What is the InChIKey of [2-(dimethylamino)-2-oxo-1-phenylethyl] 1-ethyl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxylate?

The InChIKey is UZXYLFCCDNQWTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N4O3S/c1-4-27-21-17(14-24-27)16(13-18(25-21)19-11-8-12-31-19)23(29)30-20(22(28)26(2)3)15-9-6-5-7-10-15/h5-14,20H,4H2,1-3H3.

What are the key properties of [2-(dimethylamino)-2-oxo-1-phenylethyl] 1-ethyl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxylate?

[2-(dimethylamino)-2-oxo-1-phenylethyl] 1-ethyl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxylate has a molecular weight of 434.52 g/mol, XLogP of 4.17, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for [2-(dimethylamino)-2-oxo-1-phenylethyl] 1-ethyl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxylate is sourced from PubChem (CID 46694189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).