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

C28H31FN6O3S — CID 59278387

IUPAC1-(4-fluorophenyl)-N-[[4-[[methyl-(1-methylpiperidin-4-yl)sulfamoyl]methyl]phenyl]methyl]pyrazolo[5,4-c]pyridine-4-carboxamide
SMILESCN1CCC(N(C)S(=O)(=O)Cc2ccc(CNC(=O)c3cncc4c3cnn4-c3ccc(F)cc3)cc2)CC1
InChIInChI=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)
InChIKeyUTQCCBUPDRFYJQ-UHFFFAOYSA-N
MW550.66 g/mol
LogP3.35
Rot. Bonds8

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 Name1-(4-fluorophenyl)-N-[[4-[[methyl-(1-methylpiperidin-4-yl)sulfamoyl]methyl]phenyl]methyl]pyrazolo[5,4-c]pyridine-4-carboxamide
PubChem CID59278387
Molecular FormulaC28H31FN6O3S
Molecular Weight550.66 g/mol
Exact Mass550.22
IUPAC Name1-(4-fluorophenyl)-N-[[4-[[methyl-(1-methylpiperidin-4-yl)sulfamoyl]methyl]phenyl]methyl]pyrazolo[5,4-c]pyridine-4-carboxamide
SMILESCN1CCC(N(C)S(=O)(=O)Cc2ccc(CNC(=O)c3cncc4c3cnn4-c3ccc(F)cc3)cc2)CC1
InChIInChI=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)
InChIKeyUTQCCBUPDRFYJQ-UHFFFAOYSA-N
XLogP3.35
TPSA100.43 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500550.66
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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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).