1-ethyl-N-[(4-methoxyphenyl)methyl]-N-methyl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide

C22H22N4O2S — CID 24641354

About 1-ethyl-N-[(4-methoxyphenyl)methyl]-N-methyl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide

1-ethyl-N-[(4-methoxyphenyl)methyl]-N-methyl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide (PubChem CID 24641354) has the molecular formula C22H22N4O2S and a molecular weight of 406.51 g/mol. Its IUPAC name is 1-ethyl-N-[(4-methoxyphenyl)methyl]-N-methyl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide.

Molecular Properties

• Compound Name: 1-ethyl-N-[(4-methoxyphenyl)methyl]-N-methyl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
• PubChem CID: 24641354
• Molecular Formula: C22H22N4O2S
• Molecular Weight: 406.51 g/mol
• Exact Mass: 406.15
• IUPAC Name: 1-ethyl-N-[(4-methoxyphenyl)methyl]-N-methyl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
• SMILES: CCn1ncc2c(C(=O)N(C)Cc3ccc(OC)cc3)cc(-c3cccs3)nc21
• InChI: InChI=1S/C22H22N4O2S/c1-4-26-21-18(13-23-26)17(12-19(24-21)20-6-5-11-29-20)22(27)25(2)14-15-7-9-16(28-3)10-8-15/h5-13H,4,14H2,1-3H3
• InChIKey: TWJLPZHJWGFPRZ-UHFFFAOYSA-N
• XLogP: 4.46
• TPSA: 60.25 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	406.51
LogP ≤ 5	4.46
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-N-[(4-methoxyphenyl)methyl]-N-methyl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide?

The IUPAC name of 1-ethyl-N-[(4-methoxyphenyl)methyl]-N-methyl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide (CID 24641354) is 1-ethyl-N-[(4-methoxyphenyl)methyl]-N-methyl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide.

What is the SMILES notation for 1-ethyl-N-[(4-methoxyphenyl)methyl]-N-methyl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide?

The canonical SMILES for 1-ethyl-N-[(4-methoxyphenyl)methyl]-N-methyl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide is CCn1ncc2c(C(=O)N(C)Cc3ccc(OC)cc3)cc(-c3cccs3)nc21.

What is the InChIKey of 1-ethyl-N-[(4-methoxyphenyl)methyl]-N-methyl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide?

The InChIKey is TWJLPZHJWGFPRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O2S/c1-4-26-21-18(13-23-26)17(12-19(24-21)20-6-5-11-29-20)22(27)25(2)14-15-7-9-16(28-3)10-8-15/h5-13H,4,14H2,1-3H3.

What are the key properties of 1-ethyl-N-[(4-methoxyphenyl)methyl]-N-methyl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide?

1-ethyl-N-[(4-methoxyphenyl)methyl]-N-methyl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide has a molecular weight of 406.51 g/mol, XLogP of 4.46, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-ethyl-N-[(4-methoxyphenyl)methyl]-N-methyl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 24641354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).