1-benzyl-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)-3-thiophen-2-ylpyrazole-4-carboxamide

C24H22N6OS — CID 26956282

About 1-benzyl-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)-3-thiophen-2-ylpyrazole-4-carboxamide

1-benzyl-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)-3-thiophen-2-ylpyrazole-4-carboxamide (PubChem CID 26956282) has the molecular formula C24H22N6OS and a molecular weight of 442.55 g/mol. Its IUPAC name is 1-benzyl-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)-3-thiophen-2-ylpyrazole-4-carboxamide.

Molecular Properties

• Compound Name: 1-benzyl-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)-3-thiophen-2-ylpyrazole-4-carboxamide
• PubChem CID: 26956282
• Molecular Formula: C24H22N6OS
• Molecular Weight: 442.55 g/mol
• Exact Mass: 442.16
• IUPAC Name: 1-benzyl-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)-3-thiophen-2-ylpyrazole-4-carboxamide
• SMILES: CC(C)n1ncc2cc(NC(=O)c3cn(Cc4ccccc4)nc3-c3cccs3)cnc21
• InChI: InChI=1S/C24H22N6OS/c1-16(2)30-23-18(12-26-30)11-19(13-25-23)27-24(31)20-15-29(14-17-7-4-3-5-8-17)28-22(20)21-9-6-10-32-21/h3-13,15-16H,14H2,1-2H3,(H,27,31)
• InChIKey: YZJAJZPLQCWTQY-UHFFFAOYSA-N
• XLogP: 5.24
• TPSA: 77.63 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	442.55
LogP ≤ 5	5.24
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)-3-thiophen-2-ylpyrazole-4-carboxamide?

The IUPAC name of 1-benzyl-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)-3-thiophen-2-ylpyrazole-4-carboxamide (CID 26956282) is 1-benzyl-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)-3-thiophen-2-ylpyrazole-4-carboxamide.

What is the SMILES notation for 1-benzyl-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)-3-thiophen-2-ylpyrazole-4-carboxamide?

The canonical SMILES for 1-benzyl-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)-3-thiophen-2-ylpyrazole-4-carboxamide is CC(C)n1ncc2cc(NC(=O)c3cn(Cc4ccccc4)nc3-c3cccs3)cnc21.

What is the InChIKey of 1-benzyl-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)-3-thiophen-2-ylpyrazole-4-carboxamide?

The InChIKey is YZJAJZPLQCWTQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N6OS/c1-16(2)30-23-18(12-26-30)11-19(13-25-23)27-24(31)20-15-29(14-17-7-4-3-5-8-17)28-22(20)21-9-6-10-32-21/h3-13,15-16H,14H2,1-2H3,(H,27,31).

What are the key properties of 1-benzyl-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)-3-thiophen-2-ylpyrazole-4-carboxamide?

1-benzyl-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)-3-thiophen-2-ylpyrazole-4-carboxamide has a molecular weight of 442.55 g/mol, XLogP of 5.24, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 1-benzyl-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)-3-thiophen-2-ylpyrazole-4-carboxamide is sourced from PubChem (CID 26956282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).