[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 1-ethyl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxylate

C20H16ClN5O3S — CID 46694410

About [2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 1-ethyl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxylate

[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 1-ethyl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxylate (PubChem CID 46694410) has the molecular formula C20H16ClN5O3S and a molecular weight of 441.90 g/mol. Its IUPAC name is [2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 1-ethyl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxylate.

Molecular Properties

• Compound Name: [2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 1-ethyl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxylate
• PubChem CID: 46694410
• Molecular Formula: C20H16ClN5O3S
• Molecular Weight: 441.90 g/mol
• Exact Mass: 441.07
• IUPAC Name: [2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 1-ethyl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxylate
• SMILES: CCn1ncc2c(C(=O)OCC(=O)Nc3ccc(Cl)cn3)cc(-c3cccs3)nc21
• InChI: InChI=1S/C20H16ClN5O3S/c1-2-26-19-14(10-23-26)13(8-15(24-19)16-4-3-7-30-16)20(28)29-11-18(27)25-17-6-5-12(21)9-22-17/h3-10H,2,11H2,1H3,(H,22,25,27)
• InChIKey: CCHJXGHWTJLXKZ-UHFFFAOYSA-N
• XLogP: 4.02
• TPSA: 99.00 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	441.90
LogP ≤ 5	4.02
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of [2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 1-ethyl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxylate?

The IUPAC name of [2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 1-ethyl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxylate (CID 46694410) is [2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 1-ethyl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxylate.

What is the SMILES notation for [2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 1-ethyl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxylate?

The canonical SMILES for [2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 1-ethyl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxylate is CCn1ncc2c(C(=O)OCC(=O)Nc3ccc(Cl)cn3)cc(-c3cccs3)nc21.

What is the InChIKey of [2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 1-ethyl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxylate?

The InChIKey is CCHJXGHWTJLXKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16ClN5O3S/c1-2-26-19-14(10-23-26)13(8-15(24-19)16-4-3-7-30-16)20(28)29-11-18(27)25-17-6-5-12(21)9-22-17/h3-10H,2,11H2,1H3,(H,22,25,27).

What are the key properties of [2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 1-ethyl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxylate?

[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 1-ethyl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxylate has a molecular weight of 441.90 g/mol, XLogP of 4.02, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for [2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 1-ethyl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxylate is sourced from PubChem (CID 46694410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).