1-(4-fluorophenyl)-N-[[4-(2-methoxyethylsulfamoyl)phenyl]methyl]-6,7-dihydro-5H-pyrazolo[4,5-b]pyridine-4-carboxamide

C23H26FN5O4S — CID 57404580

About 1-(4-fluorophenyl)-N-[[4-(2-methoxyethylsulfamoyl)phenyl]methyl]-6,7-dihydro-5H-pyrazolo[4,5-b]pyridine-4-carboxamide

1-(4-fluorophenyl)-N-[[4-(2-methoxyethylsulfamoyl)phenyl]methyl]-6,7-dihydro-5H-pyrazolo[4,5-b]pyridine-4-carboxamide (PubChem CID 57404580) has the molecular formula C23H26FN5O4S and a molecular weight of 487.56 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-N-[[4-(2-methoxyethylsulfamoyl)phenyl]methyl]-6,7-dihydro-5H-pyrazolo[4,5-b]pyridine-4-carboxamide.

Molecular Properties

• Compound Name: 1-(4-fluorophenyl)-N-[[4-(2-methoxyethylsulfamoyl)phenyl]methyl]-6,7-dihydro-5H-pyrazolo[4,5-b]pyridine-4-carboxamide
• PubChem CID: 57404580
• Molecular Formula: C23H26FN5O4S
• Molecular Weight: 487.56 g/mol
• Exact Mass: 487.17
• IUPAC Name: 1-(4-fluorophenyl)-N-[[4-(2-methoxyethylsulfamoyl)phenyl]methyl]-6,7-dihydro-5H-pyrazolo[4,5-b]pyridine-4-carboxamide
• SMILES: COCCNS(=O)(=O)c1ccc(CNC(=O)N2CCCc3c2cnn3-c2ccc(F)cc2)cc1
• InChI: InChI=1S/C23H26FN5O4S/c1-33-14-12-27-34(31,32)20-10-4-17(5-11-20)15-25-23(30)28-13-2-3-21-22(28)16-26-29(21)19-8-6-18(24)7-9-19/h4-11,16,27H,2-3,12-15H2,1H3,(H,25,30)
• InChIKey: WTDSYDDNJWEVAQ-UHFFFAOYSA-N
• XLogP: 2.60
• TPSA: 105.56 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	487.56
LogP ≤ 5	2.60
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-N-[[4-(2-methoxyethylsulfamoyl)phenyl]methyl]-6,7-dihydro-5H-pyrazolo[4,5-b]pyridine-4-carboxamide?

The IUPAC name of 1-(4-fluorophenyl)-N-[[4-(2-methoxyethylsulfamoyl)phenyl]methyl]-6,7-dihydro-5H-pyrazolo[4,5-b]pyridine-4-carboxamide (CID 57404580) is 1-(4-fluorophenyl)-N-[[4-(2-methoxyethylsulfamoyl)phenyl]methyl]-6,7-dihydro-5H-pyrazolo[4,5-b]pyridine-4-carboxamide.

What is the SMILES notation for 1-(4-fluorophenyl)-N-[[4-(2-methoxyethylsulfamoyl)phenyl]methyl]-6,7-dihydro-5H-pyrazolo[4,5-b]pyridine-4-carboxamide?

The canonical SMILES for 1-(4-fluorophenyl)-N-[[4-(2-methoxyethylsulfamoyl)phenyl]methyl]-6,7-dihydro-5H-pyrazolo[4,5-b]pyridine-4-carboxamide is COCCNS(=O)(=O)c1ccc(CNC(=O)N2CCCc3c2cnn3-c2ccc(F)cc2)cc1.

What is the InChIKey of 1-(4-fluorophenyl)-N-[[4-(2-methoxyethylsulfamoyl)phenyl]methyl]-6,7-dihydro-5H-pyrazolo[4,5-b]pyridine-4-carboxamide?

The InChIKey is WTDSYDDNJWEVAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26FN5O4S/c1-33-14-12-27-34(31,32)20-10-4-17(5-11-20)15-25-23(30)28-13-2-3-21-22(28)16-26-29(21)19-8-6-18(24)7-9-19/h4-11,16,27H,2-3,12-15H2,1H3,(H,25,30).

What are the key properties of 1-(4-fluorophenyl)-N-[[4-(2-methoxyethylsulfamoyl)phenyl]methyl]-6,7-dihydro-5H-pyrazolo[4,5-b]pyridine-4-carboxamide?

1-(4-fluorophenyl)-N-[[4-(2-methoxyethylsulfamoyl)phenyl]methyl]-6,7-dihydro-5H-pyrazolo[4,5-b]pyridine-4-carboxamide has a molecular weight of 487.56 g/mol, XLogP of 2.60, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(4-fluorophenyl)-N-[[4-(2-methoxyethylsulfamoyl)phenyl]methyl]-6,7-dihydro-5H-pyrazolo[4,5-b]pyridine-4-carboxamide is sourced from PubChem (CID 57404580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).