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

C23H22FN5O3S — CID 123317370

IUPACN-[[4-[ethyl(methyl)sulfamoyl]phenyl]methyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide
SMILESCCN(C)S(=O)(=O)c1ccc(CNC(=O)c2cncc3c2cnn3-c2ccc(F)cc2)cc1
InChIInChI=1S/C23H22FN5O3S/c1-3-28(2)33(31,32)19-10-4-16(5-11-19)12-26-23(30)21-13-25-15-22-20(21)14-27-29(22)18-8-6-17(24)7-9-18/h4-11,13-15H,3,12H2,1-2H3,(H,26,30)
InChIKeyJZLQLDRNDSHPLV-UHFFFAOYSA-N
MW467.53 g/mol
LogP3.13
Rot. Bonds7

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

N-[[4-[ethyl(methyl)sulfamoyl]phenyl]methyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide (PubChem CID 123317370) has the molecular formula C23H22FN5O3S and a molecular weight of 467.53 g/mol. Its IUPAC name is N-[[4-[ethyl(methyl)sulfamoyl]phenyl]methyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[[4-[ethyl(methyl)sulfamoyl]phenyl]methyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide
PubChem CID123317370
Molecular FormulaC23H22FN5O3S
Molecular Weight467.53 g/mol
Exact Mass467.14
IUPAC NameN-[[4-[ethyl(methyl)sulfamoyl]phenyl]methyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide
SMILESCCN(C)S(=O)(=O)c1ccc(CNC(=O)c2cncc3c2cnn3-c2ccc(F)cc2)cc1
InChIInChI=1S/C23H22FN5O3S/c1-3-28(2)33(31,32)19-10-4-16(5-11-19)12-26-23(30)21-13-25-15-22-20(21)14-27-29(22)18-8-6-17(24)7-9-18/h4-11,13-15H,3,12H2,1-2H3,(H,26,30)
InChIKeyJZLQLDRNDSHPLV-UHFFFAOYSA-N
XLogP3.13
TPSA97.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.53
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-(4-fluorophenyl)-N-[[4-[(1-hydroxy-2-methylpropan-2-yl)sulfamoyl]phenyl]methyl]pyrazolo[5,4-c]pyridine-4-carboxamide
CID 45139039
1-(4-fluorophenyl)-N-[[4-(4-hydroxycyclohexyl)sulfonylphenyl]methyl]pyrazolo[5,4-c]pyridine-4-carboxamide
CID 58222746
1-(4-fluorophenyl)-N-[[4-[[methyl-(1-methylpiperidin-4-yl)sulfamoyl]methyl]phenyl]methyl]pyrazolo[5,4-c]pyridine-4-carboxamide
CID 59278387
2-[[5-[[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carbonyl]amino]methyl]-2-pyridinyl]sulfonyl-methylamino]ethyl acetate
CID 59278469
N-[(5-bromo-3-pyridinyl)methyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide
CID 45138157
1-(4-fluorophenyl)-N-[[2-(2-oxopropylamino)pyrimidin-5-yl]methyl]pyrazolo[5,4-c]pyridine-4-carboxamide
CID 67308536
N-[[4-(cyclohexylsulfamoylmethyl)phenyl]methyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide
CID 45138160
N-[[4-(cyclohexylmethylsulfamoylmethyl)phenyl]methyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide
CID 59278271
1-(4-fluorophenyl)-N-[(2-methoxy-4-methylsulfonylphenyl)methyl]pyrazolo[5,4-c]pyridine-4-carboxamide
CID 59278142
N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide
CID 58084215
1-(4-fluorophenyl)-6-methyl-N-[[4-(methylsulfamoyl)phenyl]methyl]indazole-4-carboxamide
CID 58138794
1-(4-fluorophenyl)-N-[[4-(methylsulfamoyl)phenyl]methyl]-6-methylsulfonylindazole-4-carboxamide
CID 58138778

Frequently Asked Questions

What is the IUPAC name of N-[[4-[ethyl(methyl)sulfamoyl]phenyl]methyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide?
The IUPAC name of N-[[4-[ethyl(methyl)sulfamoyl]phenyl]methyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide (CID 123317370) is N-[[4-[ethyl(methyl)sulfamoyl]phenyl]methyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide.
What is the SMILES notation for N-[[4-[ethyl(methyl)sulfamoyl]phenyl]methyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide?
The canonical SMILES for N-[[4-[ethyl(methyl)sulfamoyl]phenyl]methyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide is CCN(C)S(=O)(=O)c1ccc(CNC(=O)c2cncc3c2cnn3-c2ccc(F)cc2)cc1.
What is the InChIKey of N-[[4-[ethyl(methyl)sulfamoyl]phenyl]methyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide?
The InChIKey is JZLQLDRNDSHPLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22FN5O3S/c1-3-28(2)33(31,32)19-10-4-16(5-11-19)12-26-23(30)21-13-25-15-22-20(21)14-27-29(22)18-8-6-17(24)7-9-18/h4-11,13-15H,3,12H2,1-2H3,(H,26,30).
What are the key properties of N-[[4-[ethyl(methyl)sulfamoyl]phenyl]methyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide?
N-[[4-[ethyl(methyl)sulfamoyl]phenyl]methyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide has a molecular weight of 467.53 g/mol, XLogP of 3.13, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[ethyl(methyl)sulfamoyl]phenyl]methyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide is sourced from PubChem (CID 123317370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).