6-(furan-2-yl)-N-[5-methyl-2-(4-nitrophenyl)pyrazol-3-yl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide

C24H21N7O4 — CID 55502737

About 6-(furan-2-yl)-N-[5-methyl-2-(4-nitrophenyl)pyrazol-3-yl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide

6-(furan-2-yl)-N-[5-methyl-2-(4-nitrophenyl)pyrazol-3-yl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide (PubChem CID 55502737) has the molecular formula C24H21N7O4 and a molecular weight of 471.48 g/mol. Its IUPAC name is 6-(furan-2-yl)-N-[5-methyl-2-(4-nitrophenyl)pyrazol-3-yl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide.

Molecular Properties

• Compound Name: 6-(furan-2-yl)-N-[5-methyl-2-(4-nitrophenyl)pyrazol-3-yl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
• PubChem CID: 55502737
• Molecular Formula: C24H21N7O4
• Molecular Weight: 471.48 g/mol
• Exact Mass: 471.17
• IUPAC Name: 6-(furan-2-yl)-N-[5-methyl-2-(4-nitrophenyl)pyrazol-3-yl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
• SMILES: Cc1cc(NC(=O)c2cc(-c3ccco3)nc3c2cnn3C(C)C)n(-c2ccc([N+](=O)[O-])cc2)n1
• InChI: InChI=1S/C24H21N7O4/c1-14(2)29-23-19(13-25-29)18(12-20(26-23)21-5-4-10-35-21)24(32)27-22-11-15(3)28-30(22)16-6-8-17(9-7-16)31(33)34/h4-14H,1-3H3,(H,27,32)
• InChIKey: OGMJGVSGTSDRON-UHFFFAOYSA-N
• XLogP: 4.93
• TPSA: 133.91 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 6
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	471.48
LogP ≤ 5	4.93
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 6-(furan-2-yl)-N-[5-methyl-2-(4-nitrophenyl)pyrazol-3-yl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide?

The IUPAC name of 6-(furan-2-yl)-N-[5-methyl-2-(4-nitrophenyl)pyrazol-3-yl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide (CID 55502737) is 6-(furan-2-yl)-N-[5-methyl-2-(4-nitrophenyl)pyrazol-3-yl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide.

What is the SMILES notation for 6-(furan-2-yl)-N-[5-methyl-2-(4-nitrophenyl)pyrazol-3-yl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide?

The canonical SMILES for 6-(furan-2-yl)-N-[5-methyl-2-(4-nitrophenyl)pyrazol-3-yl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide is Cc1cc(NC(=O)c2cc(-c3ccco3)nc3c2cnn3C(C)C)n(-c2ccc([N+](=O)[O-])cc2)n1.

What is the InChIKey of 6-(furan-2-yl)-N-[5-methyl-2-(4-nitrophenyl)pyrazol-3-yl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide?

The InChIKey is OGMJGVSGTSDRON-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N7O4/c1-14(2)29-23-19(13-25-29)18(12-20(26-23)21-5-4-10-35-21)24(32)27-22-11-15(3)28-30(22)16-6-8-17(9-7-16)31(33)34/h4-14H,1-3H3,(H,27,32).

What are the key properties of 6-(furan-2-yl)-N-[5-methyl-2-(4-nitrophenyl)pyrazol-3-yl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide?

6-(furan-2-yl)-N-[5-methyl-2-(4-nitrophenyl)pyrazol-3-yl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide has a molecular weight of 471.48 g/mol, XLogP of 4.93, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 6-(furan-2-yl)-N-[5-methyl-2-(4-nitrophenyl)pyrazol-3-yl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 55502737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).