1-(4-fluorophenyl)-N-[[4-[[methyl-(1-methylpiperidin-4-yl)sulfamoyl]methyl]phenyl]methyl]pyrazolo[5,4-c]pyridine-4-carboxamide

C28H31FN6O3S — CID 59278387

About 1-(4-fluorophenyl)-N-[[4-[[methyl-(1-methylpiperidin-4-yl)sulfamoyl]methyl]phenyl]methyl]pyrazolo[5,4-c]pyridine-4-carboxamide

1-(4-fluorophenyl)-N-[[4-[[methyl-(1-methylpiperidin-4-yl)sulfamoyl]methyl]phenyl]methyl]pyrazolo[5,4-c]pyridine-4-carboxamide (PubChem CID 59278387) has the molecular formula C28H31FN6O3S and a molecular weight of 550.66 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-N-[[4-[[methyl-(1-methylpiperidin-4-yl)sulfamoyl]methyl]phenyl]methyl]pyrazolo[5,4-c]pyridine-4-carboxamide.

Molecular Properties

• Compound Name: 1-(4-fluorophenyl)-N-[[4-[[methyl-(1-methylpiperidin-4-yl)sulfamoyl]methyl]phenyl]methyl]pyrazolo[5,4-c]pyridine-4-carboxamide
• PubChem CID: 59278387
• Molecular Formula: C28H31FN6O3S
• Molecular Weight: 550.66 g/mol
• Exact Mass: 550.22
• IUPAC Name: 1-(4-fluorophenyl)-N-[[4-[[methyl-(1-methylpiperidin-4-yl)sulfamoyl]methyl]phenyl]methyl]pyrazolo[5,4-c]pyridine-4-carboxamide
• SMILES: CN1CCC(N(C)S(=O)(=O)Cc2ccc(CNC(=O)c3cncc4c3cnn4-c3ccc(F)cc3)cc2)CC1
• InChI: InChI=1S/C28H31FN6O3S/c1-33-13-11-23(12-14-33)34(2)39(37,38)19-21-5-3-20(4-6-21)15-31-28(36)26-16-30-18-27-25(26)17-32-35(27)24-9-7-22(29)8-10-24/h3-10,16-18,23H,11-15,19H2,1-2H3,(H,31,36)
• InChIKey: UTQCCBUPDRFYJQ-UHFFFAOYSA-N
• XLogP: 3.35
• TPSA: 100.43 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	550.66
LogP ≤ 5	3.35
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-N-[[4-[[methyl-(1-methylpiperidin-4-yl)sulfamoyl]methyl]phenyl]methyl]pyrazolo[5,4-c]pyridine-4-carboxamide?

The IUPAC name of 1-(4-fluorophenyl)-N-[[4-[[methyl-(1-methylpiperidin-4-yl)sulfamoyl]methyl]phenyl]methyl]pyrazolo[5,4-c]pyridine-4-carboxamide (CID 59278387) is 1-(4-fluorophenyl)-N-[[4-[[methyl-(1-methylpiperidin-4-yl)sulfamoyl]methyl]phenyl]methyl]pyrazolo[5,4-c]pyridine-4-carboxamide.

What is the SMILES notation for 1-(4-fluorophenyl)-N-[[4-[[methyl-(1-methylpiperidin-4-yl)sulfamoyl]methyl]phenyl]methyl]pyrazolo[5,4-c]pyridine-4-carboxamide?

The canonical SMILES for 1-(4-fluorophenyl)-N-[[4-[[methyl-(1-methylpiperidin-4-yl)sulfamoyl]methyl]phenyl]methyl]pyrazolo[5,4-c]pyridine-4-carboxamide is CN1CCC(N(C)S(=O)(=O)Cc2ccc(CNC(=O)c3cncc4c3cnn4-c3ccc(F)cc3)cc2)CC1.

What is the InChIKey of 1-(4-fluorophenyl)-N-[[4-[[methyl-(1-methylpiperidin-4-yl)sulfamoyl]methyl]phenyl]methyl]pyrazolo[5,4-c]pyridine-4-carboxamide?

The InChIKey is UTQCCBUPDRFYJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H31FN6O3S/c1-33-13-11-23(12-14-33)34(2)39(37,38)19-21-5-3-20(4-6-21)15-31-28(36)26-16-30-18-27-25(26)17-32-35(27)24-9-7-22(29)8-10-24/h3-10,16-18,23H,11-15,19H2,1-2H3,(H,31,36).

What are the key properties of 1-(4-fluorophenyl)-N-[[4-[[methyl-(1-methylpiperidin-4-yl)sulfamoyl]methyl]phenyl]methyl]pyrazolo[5,4-c]pyridine-4-carboxamide?

1-(4-fluorophenyl)-N-[[4-[[methyl-(1-methylpiperidin-4-yl)sulfamoyl]methyl]phenyl]methyl]pyrazolo[5,4-c]pyridine-4-carboxamide has a molecular weight of 550.66 g/mol, XLogP of 3.35, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(4-fluorophenyl)-N-[[4-[[methyl-(1-methylpiperidin-4-yl)sulfamoyl]methyl]phenyl]methyl]pyrazolo[5,4-c]pyridine-4-carboxamide is sourced from PubChem (CID 59278387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).