1-ethyl-N-propan-2-yl-N-(pyridin-2-ylmethyl)-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide

C22H23N5OS — CID 47063371

About 1-ethyl-N-propan-2-yl-N-(pyridin-2-ylmethyl)-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide

1-ethyl-N-propan-2-yl-N-(pyridin-2-ylmethyl)-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide (PubChem CID 47063371) has the molecular formula C22H23N5OS and a molecular weight of 405.53 g/mol. Its IUPAC name is 1-ethyl-N-propan-2-yl-N-(pyridin-2-ylmethyl)-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide.

Molecular Properties

• Compound Name: 1-ethyl-N-propan-2-yl-N-(pyridin-2-ylmethyl)-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
• PubChem CID: 47063371
• Molecular Formula: C22H23N5OS
• Molecular Weight: 405.53 g/mol
• Exact Mass: 405.16
• IUPAC Name: 1-ethyl-N-propan-2-yl-N-(pyridin-2-ylmethyl)-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
• SMILES: CCn1ncc2c(C(=O)N(Cc3ccccn3)C(C)C)cc(-c3cccs3)nc21
• InChI: InChI=1S/C22H23N5OS/c1-4-27-21-18(13-24-27)17(12-19(25-21)20-9-7-11-29-20)22(28)26(15(2)3)14-16-8-5-6-10-23-16/h5-13,15H,4,14H2,1-3H3
• InChIKey: ALZDBAKXBHKLDI-UHFFFAOYSA-N
• XLogP: 4.63
• TPSA: 63.91 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	405.53
LogP ≤ 5	4.63
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of 1-ethyl-N-propan-2-yl-N-(pyridin-2-ylmethyl)-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide (CID 47063371) is 1-ethyl-N-propan-2-yl-N-(pyridin-2-ylmethyl)-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide.

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

The canonical SMILES for 1-ethyl-N-propan-2-yl-N-(pyridin-2-ylmethyl)-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide is CCn1ncc2c(C(=O)N(Cc3ccccn3)C(C)C)cc(-c3cccs3)nc21.

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

The InChIKey is ALZDBAKXBHKLDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N5OS/c1-4-27-21-18(13-24-27)17(12-19(25-21)20-9-7-11-29-20)22(28)26(15(2)3)14-16-8-5-6-10-23-16/h5-13,15H,4,14H2,1-3H3.

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

1-ethyl-N-propan-2-yl-N-(pyridin-2-ylmethyl)-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide has a molecular weight of 405.53 g/mol, XLogP of 4.63, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-ethyl-N-propan-2-yl-N-(pyridin-2-ylmethyl)-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 47063371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).