1-(4-fluorophenyl)-7-methoxy-N-[[4-(methylsulfamoyl)phenyl]methyl]pyrazolo[5,4-c]pyridine-4-carboxamide

C22H20FN5O4S — CID 133084072

IUPAC1-(4-fluorophenyl)-7-methoxy-N-[[4-(methylsulfamoyl)phenyl]methyl]pyrazolo[5,4-c]pyridine-4-carboxamide
SMILESCNS(=O)(=O)c1ccc(CNC(=O)c2cnc(OC)c3c2cnn3-c2ccc(F)cc2)cc1
InChIInChI=1S/C22H20FN5O4S/c1-24-33(30,31)17-9-3-14(4-10-17)11-25-21(29)19-12-26-22(32-2)20-18(19)13-27-28(20)16-7-5-15(23)6-8-16/h3-10,12-13,24H,11H2,1-2H3,(H,25,29)
InChIKeyXCGQNCJLJMSYMR-UHFFFAOYSA-N
MW469.50 g/mol
LogP2.41
Rot. Bonds7

About 1-(4-fluorophenyl)-7-methoxy-N-[[4-(methylsulfamoyl)phenyl]methyl]pyrazolo[5,4-c]pyridine-4-carboxamide

1-(4-fluorophenyl)-7-methoxy-N-[[4-(methylsulfamoyl)phenyl]methyl]pyrazolo[5,4-c]pyridine-4-carboxamide (PubChem CID 133084072) has the molecular formula C22H20FN5O4S and a molecular weight of 469.50 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-7-methoxy-N-[[4-(methylsulfamoyl)phenyl]methyl]pyrazolo[5,4-c]pyridine-4-carboxamide.

Molecular Properties

Compound Name1-(4-fluorophenyl)-7-methoxy-N-[[4-(methylsulfamoyl)phenyl]methyl]pyrazolo[5,4-c]pyridine-4-carboxamide
PubChem CID133084072
Molecular FormulaC22H20FN5O4S
Molecular Weight469.50 g/mol
Exact Mass469.12
IUPAC Name1-(4-fluorophenyl)-7-methoxy-N-[[4-(methylsulfamoyl)phenyl]methyl]pyrazolo[5,4-c]pyridine-4-carboxamide
SMILESCNS(=O)(=O)c1ccc(CNC(=O)c2cnc(OC)c3c2cnn3-c2ccc(F)cc2)cc1
InChIInChI=1S/C22H20FN5O4S/c1-24-33(30,31)17-9-3-14(4-10-17)11-25-21(29)19-12-26-22(32-2)20-18(19)13-27-28(20)16-7-5-15(23)6-8-16/h3-10,12-13,24H,11H2,1-2H3,(H,25,29)
InChIKeyXCGQNCJLJMSYMR-UHFFFAOYSA-N
XLogP2.41
TPSA115.21 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.50
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-7-methoxy-N-[[4-(methylsulfamoyl)phenyl]methyl]pyrazolo[5,4-c]pyridine-4-carboxamide?
The IUPAC name of 1-(4-fluorophenyl)-7-methoxy-N-[[4-(methylsulfamoyl)phenyl]methyl]pyrazolo[5,4-c]pyridine-4-carboxamide (CID 133084072) is 1-(4-fluorophenyl)-7-methoxy-N-[[4-(methylsulfamoyl)phenyl]methyl]pyrazolo[5,4-c]pyridine-4-carboxamide.
What is the SMILES notation for 1-(4-fluorophenyl)-7-methoxy-N-[[4-(methylsulfamoyl)phenyl]methyl]pyrazolo[5,4-c]pyridine-4-carboxamide?
The canonical SMILES for 1-(4-fluorophenyl)-7-methoxy-N-[[4-(methylsulfamoyl)phenyl]methyl]pyrazolo[5,4-c]pyridine-4-carboxamide is CNS(=O)(=O)c1ccc(CNC(=O)c2cnc(OC)c3c2cnn3-c2ccc(F)cc2)cc1.
What is the InChIKey of 1-(4-fluorophenyl)-7-methoxy-N-[[4-(methylsulfamoyl)phenyl]methyl]pyrazolo[5,4-c]pyridine-4-carboxamide?
The InChIKey is XCGQNCJLJMSYMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20FN5O4S/c1-24-33(30,31)17-9-3-14(4-10-17)11-25-21(29)19-12-26-22(32-2)20-18(19)13-27-28(20)16-7-5-15(23)6-8-16/h3-10,12-13,24H,11H2,1-2H3,(H,25,29).
What are the key properties of 1-(4-fluorophenyl)-7-methoxy-N-[[4-(methylsulfamoyl)phenyl]methyl]pyrazolo[5,4-c]pyridine-4-carboxamide?
1-(4-fluorophenyl)-7-methoxy-N-[[4-(methylsulfamoyl)phenyl]methyl]pyrazolo[5,4-c]pyridine-4-carboxamide has a molecular weight of 469.50 g/mol, XLogP of 2.41, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-7-methoxy-N-[[4-(methylsulfamoyl)phenyl]methyl]pyrazolo[5,4-c]pyridine-4-carboxamide is sourced from PubChem (CID 133084072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).