6-(2-methoxyphenyl)-3-(4-methylphenyl)-N-pentyl-2H-pyrazolo[3,4-b]pyridine-4-carboxamide

C26H28N4O2 — CID 46364772

About 6-(2-methoxyphenyl)-3-(4-methylphenyl)-N-pentyl-2H-pyrazolo[3,4-b]pyridine-4-carboxamide

6-(2-methoxyphenyl)-3-(4-methylphenyl)-N-pentyl-2H-pyrazolo[3,4-b]pyridine-4-carboxamide (PubChem CID 46364772) has the molecular formula C26H28N4O2 and a molecular weight of 428.54 g/mol. Its IUPAC name is 6-(2-methoxyphenyl)-3-(4-methylphenyl)-N-pentyl-2H-pyrazolo[3,4-b]pyridine-4-carboxamide.

Molecular Properties

• Compound Name: 6-(2-methoxyphenyl)-3-(4-methylphenyl)-N-pentyl-2H-pyrazolo[3,4-b]pyridine-4-carboxamide
• PubChem CID: 46364772
• Molecular Formula: C26H28N4O2
• Molecular Weight: 428.54 g/mol
• Exact Mass: 428.22
• IUPAC Name: 6-(2-methoxyphenyl)-3-(4-methylphenyl)-N-pentyl-2H-pyrazolo[3,4-b]pyridine-4-carboxamide
• SMILES: CCCCCNC(=O)c1cc(-c2ccccc2OC)nc2n[nH]c(-c3ccc(C)cc3)c12
• InChI: InChI=1S/C26H28N4O2/c1-4-5-8-15-27-26(31)20-16-21(19-9-6-7-10-22(19)32-3)28-25-23(20)24(29-30-25)18-13-11-17(2)12-14-18/h6-7,9-14,16H,4-5,8,15H2,1-3H3,(H,27,31)(H,28,29,30)
• InChIKey: RRHZMWQKJKUOHY-UHFFFAOYSA-N
• XLogP: 5.53
• TPSA: 79.90 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 8
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	428.54
LogP ≤ 5	5.53
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 6-(2-methoxyphenyl)-3-(4-methylphenyl)-N-pentyl-2H-pyrazolo[3,4-b]pyridine-4-carboxamide?

The IUPAC name of 6-(2-methoxyphenyl)-3-(4-methylphenyl)-N-pentyl-2H-pyrazolo[3,4-b]pyridine-4-carboxamide (CID 46364772) is 6-(2-methoxyphenyl)-3-(4-methylphenyl)-N-pentyl-2H-pyrazolo[3,4-b]pyridine-4-carboxamide.

What is the SMILES notation for 6-(2-methoxyphenyl)-3-(4-methylphenyl)-N-pentyl-2H-pyrazolo[3,4-b]pyridine-4-carboxamide?

The canonical SMILES for 6-(2-methoxyphenyl)-3-(4-methylphenyl)-N-pentyl-2H-pyrazolo[3,4-b]pyridine-4-carboxamide is CCCCCNC(=O)c1cc(-c2ccccc2OC)nc2n[nH]c(-c3ccc(C)cc3)c12.

What is the InChIKey of 6-(2-methoxyphenyl)-3-(4-methylphenyl)-N-pentyl-2H-pyrazolo[3,4-b]pyridine-4-carboxamide?

The InChIKey is RRHZMWQKJKUOHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N4O2/c1-4-5-8-15-27-26(31)20-16-21(19-9-6-7-10-22(19)32-3)28-25-23(20)24(29-30-25)18-13-11-17(2)12-14-18/h6-7,9-14,16H,4-5,8,15H2,1-3H3,(H,27,31)(H,28,29,30).

What are the key properties of 6-(2-methoxyphenyl)-3-(4-methylphenyl)-N-pentyl-2H-pyrazolo[3,4-b]pyridine-4-carboxamide?

6-(2-methoxyphenyl)-3-(4-methylphenyl)-N-pentyl-2H-pyrazolo[3,4-b]pyridine-4-carboxamide has a molecular weight of 428.54 g/mol, XLogP of 5.53, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 6-(2-methoxyphenyl)-3-(4-methylphenyl)-N-pentyl-2H-pyrazolo[3,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 46364772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).