[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl] 1-ethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carboxylate

C21H19N5O3S — CID 26059999

About [2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl] 1-ethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carboxylate

[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl] 1-ethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carboxylate (PubChem CID 26059999) has the molecular formula C21H19N5O3S and a molecular weight of 421.48 g/mol. Its IUPAC name is [2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl] 1-ethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carboxylate.

Molecular Properties

• Compound Name: [2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl] 1-ethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carboxylate
• PubChem CID: 26059999
• Molecular Formula: C21H19N5O3S
• Molecular Weight: 421.48 g/mol
• Exact Mass: 421.12
• IUPAC Name: [2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl] 1-ethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carboxylate
• SMILES: CCn1ncc2c(C(=O)OCC(=O)Nc3nc(C)cs3)cc(-c3ccccc3)nc21
• InChI: InChI=1S/C21H19N5O3S/c1-3-26-19-16(10-22-26)15(9-17(24-19)14-7-5-4-6-8-14)20(28)29-11-18(27)25-21-23-13(2)12-30-21/h4-10,12H,3,11H2,1-2H3,(H,23,25,27)
• InChIKey: LZUQGYBQFFPDSP-UHFFFAOYSA-N
• XLogP: 3.68
• 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	421.48
LogP ≤ 5	3.68
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of [2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl] 1-ethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carboxylate?

The IUPAC name of [2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl] 1-ethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carboxylate (CID 26059999) is [2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl] 1-ethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carboxylate.

What is the SMILES notation for [2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl] 1-ethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carboxylate?

The canonical SMILES for [2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl] 1-ethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carboxylate is CCn1ncc2c(C(=O)OCC(=O)Nc3nc(C)cs3)cc(-c3ccccc3)nc21.

What is the InChIKey of [2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl] 1-ethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carboxylate?

The InChIKey is LZUQGYBQFFPDSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N5O3S/c1-3-26-19-16(10-22-26)15(9-17(24-19)14-7-5-4-6-8-14)20(28)29-11-18(27)25-21-23-13(2)12-30-21/h4-10,12H,3,11H2,1-2H3,(H,23,25,27).

What are the key properties of [2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl] 1-ethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carboxylate?

[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl] 1-ethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carboxylate has a molecular weight of 421.48 g/mol, XLogP of 3.68, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for [2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl] 1-ethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carboxylate is sourced from PubChem (CID 26059999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).