[1-[(3-carbamoylthiophen-2-yl)amino]-1-oxopropan-2-yl] 6-(furan-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxylate

C22H21N5O5S — CID 46676625

About [1-[(3-carbamoylthiophen-2-yl)amino]-1-oxopropan-2-yl] 6-(furan-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxylate

[1-[(3-carbamoylthiophen-2-yl)amino]-1-oxopropan-2-yl] 6-(furan-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxylate (PubChem CID 46676625) has the molecular formula C22H21N5O5S and a molecular weight of 467.51 g/mol. Its IUPAC name is [1-[(3-carbamoylthiophen-2-yl)amino]-1-oxopropan-2-yl] 6-(furan-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxylate.

Molecular Properties

• Compound Name: [1-[(3-carbamoylthiophen-2-yl)amino]-1-oxopropan-2-yl] 6-(furan-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxylate
• PubChem CID: 46676625
• Molecular Formula: C22H21N5O5S
• Molecular Weight: 467.51 g/mol
• Exact Mass: 467.13
• IUPAC Name: [1-[(3-carbamoylthiophen-2-yl)amino]-1-oxopropan-2-yl] 6-(furan-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxylate
• SMILES: CC(OC(=O)c1cc(-c2ccco2)nc2c1cnn2C(C)C)C(=O)Nc1sccc1C(N)=O
• InChI: InChI=1S/C22H21N5O5S/c1-11(2)27-19-15(10-24-27)14(9-16(25-19)17-5-4-7-31-17)22(30)32-12(3)20(29)26-21-13(18(23)28)6-8-33-21/h4-12H,1-3H3,(H2,23,28)(H,26,29)
• InChIKey: SZKKGSNMIAOKFF-UHFFFAOYSA-N
• XLogP: 3.62
• TPSA: 142.34 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 7
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	467.51
LogP ≤ 5	3.62
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of [1-[(3-carbamoylthiophen-2-yl)amino]-1-oxopropan-2-yl] 6-(furan-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxylate?

The IUPAC name of [1-[(3-carbamoylthiophen-2-yl)amino]-1-oxopropan-2-yl] 6-(furan-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxylate (CID 46676625) is [1-[(3-carbamoylthiophen-2-yl)amino]-1-oxopropan-2-yl] 6-(furan-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxylate.

What is the SMILES notation for [1-[(3-carbamoylthiophen-2-yl)amino]-1-oxopropan-2-yl] 6-(furan-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxylate?

The canonical SMILES for [1-[(3-carbamoylthiophen-2-yl)amino]-1-oxopropan-2-yl] 6-(furan-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxylate is CC(OC(=O)c1cc(-c2ccco2)nc2c1cnn2C(C)C)C(=O)Nc1sccc1C(N)=O.

What is the InChIKey of [1-[(3-carbamoylthiophen-2-yl)amino]-1-oxopropan-2-yl] 6-(furan-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxylate?

The InChIKey is SZKKGSNMIAOKFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N5O5S/c1-11(2)27-19-15(10-24-27)14(9-16(25-19)17-5-4-7-31-17)22(30)32-12(3)20(29)26-21-13(18(23)28)6-8-33-21/h4-12H,1-3H3,(H2,23,28)(H,26,29).

What are the key properties of [1-[(3-carbamoylthiophen-2-yl)amino]-1-oxopropan-2-yl] 6-(furan-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxylate?

[1-[(3-carbamoylthiophen-2-yl)amino]-1-oxopropan-2-yl] 6-(furan-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxylate has a molecular weight of 467.51 g/mol, XLogP of 3.62, 7 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for [1-[(3-carbamoylthiophen-2-yl)amino]-1-oxopropan-2-yl] 6-(furan-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxylate is sourced from PubChem (CID 46676625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).