N-[[3-(dimethylsulfamoyl)phenyl]methyl]-1-(4-fluorophenyl)-6,7-dihydro-5H-pyrazolo[4,5-b]pyridine-4-carboxamide

C22H24FN5O3S — CID 57404747

IUPACN-[[3-(dimethylsulfamoyl)phenyl]methyl]-1-(4-fluorophenyl)-6,7-dihydro-5H-pyrazolo[4,5-b]pyridine-4-carboxamide
SMILESCN(C)S(=O)(=O)c1cccc(CNC(=O)N2CCCc3c2cnn3-c2ccc(F)cc2)c1
InChIInChI=1S/C22H24FN5O3S/c1-26(2)32(30,31)19-6-3-5-16(13-19)14-24-22(29)27-12-4-7-20-21(27)15-25-28(20)18-10-8-17(23)9-11-18/h3,5-6,8-11,13,15H,4,7,12,14H2,1-2H3,(H,24,29)
InChIKeyJDWVUIHLJXNEON-UHFFFAOYSA-N
MW457.53 g/mol
LogP2.92
Rot. Bonds5

About N-[[3-(dimethylsulfamoyl)phenyl]methyl]-1-(4-fluorophenyl)-6,7-dihydro-5H-pyrazolo[4,5-b]pyridine-4-carboxamide

N-[[3-(dimethylsulfamoyl)phenyl]methyl]-1-(4-fluorophenyl)-6,7-dihydro-5H-pyrazolo[4,5-b]pyridine-4-carboxamide (PubChem CID 57404747) has the molecular formula C22H24FN5O3S and a molecular weight of 457.53 g/mol. Its IUPAC name is N-[[3-(dimethylsulfamoyl)phenyl]methyl]-1-(4-fluorophenyl)-6,7-dihydro-5H-pyrazolo[4,5-b]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[[3-(dimethylsulfamoyl)phenyl]methyl]-1-(4-fluorophenyl)-6,7-dihydro-5H-pyrazolo[4,5-b]pyridine-4-carboxamide
PubChem CID57404747
Molecular FormulaC22H24FN5O3S
Molecular Weight457.53 g/mol
Exact Mass457.16
IUPAC NameN-[[3-(dimethylsulfamoyl)phenyl]methyl]-1-(4-fluorophenyl)-6,7-dihydro-5H-pyrazolo[4,5-b]pyridine-4-carboxamide
SMILESCN(C)S(=O)(=O)c1cccc(CNC(=O)N2CCCc3c2cnn3-c2ccc(F)cc2)c1
InChIInChI=1S/C22H24FN5O3S/c1-26(2)32(30,31)19-6-3-5-16(13-19)14-24-22(29)27-12-4-7-20-21(27)15-25-28(20)18-10-8-17(23)9-11-18/h3,5-6,8-11,13,15H,4,7,12,14H2,1-2H3,(H,24,29)
InChIKeyJDWVUIHLJXNEON-UHFFFAOYSA-N
XLogP2.92
TPSA87.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.53
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[(4aS)-6-(4-tert-butylphenyl)sulfonyl-1-(4-fluorophenyl)-4,5,7,8-tetrahydropyrazolo[5,4-g]isoquinolin-4a-yl]methyl]-N',N'-dimethylethane-1,2-diamine
CID 44454500
1-(5-Methylpyrrolo[1,2-b]pyridazin-6-yl)-3-[(4-sulfamoylphenyl)carbamothioyl]urea
CID 122179669
1-(3-fluorophenyl)-N-(1-methylsulfonylazetidin-3-yl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-5-carboxamide
CID 164616441
1-(3-fluorophenyl)-N-(1-methylsulfonylpiperidin-4-yl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-5-carboxamide
CID 164622205
4-{5-phenyl-4-[(4-sulfamoylphenyl)carbamamido]-1H-pyrazol-1-yl}benzene-1-sulfonamide
CID 155811826
4-[1-(2,4-difluorophenyl)-4-[[2-(4-methylpiperazin-1-yl)ethylamino]methyl]pyrazol-3-yl]-N,N-dimethyl-benzenesulfonamide
CID 72546534
N-(4-methylphenyl)-4-[5-methyl-2-(4-sulfamoylphenyl)pyrazol-3-yl]piperidine-1-carboxamide
CID 73353751
Pyrazolo(4,3-e)-1,2,4-thiadiazin-3(2H)-one, 4-ethyl-4,6-dihydro-6-methyl-2-(phenylmethyl)-, 1,1-dioxide
CID 472039
N-{[5-(3-Fluorobenzenesulfonyl)-1-methyl-1H,4H,5H,6H,7H-pyrazolo[4,3-C]pyridin-3-YL]methyl}-N-phenylacetamide
CID 53019203
N-{[5-(2-Fluorobenzenesulfonyl)-1-methyl-1H,4H,5H,6H,7H-pyrazolo[4,3-C]pyridin-3-YL]methyl}-N-phenylacetamide
CID 53019205
1-(4-Fluorophenyl)-3-[5-phenyl-1-(4-sulfamoylphenyl)pyrazol-4-yl]urea
CID 155805671
1-Phenyl-3-[5-phenyl-1-(4-sulfamoylphenyl)pyrazol-4-yl]urea
CID 155807292

Frequently Asked Questions

What is the IUPAC name of N-[[3-(dimethylsulfamoyl)phenyl]methyl]-1-(4-fluorophenyl)-6,7-dihydro-5H-pyrazolo[4,5-b]pyridine-4-carboxamide?
The IUPAC name of N-[[3-(dimethylsulfamoyl)phenyl]methyl]-1-(4-fluorophenyl)-6,7-dihydro-5H-pyrazolo[4,5-b]pyridine-4-carboxamide (CID 57404747) is N-[[3-(dimethylsulfamoyl)phenyl]methyl]-1-(4-fluorophenyl)-6,7-dihydro-5H-pyrazolo[4,5-b]pyridine-4-carboxamide.
What is the SMILES notation for N-[[3-(dimethylsulfamoyl)phenyl]methyl]-1-(4-fluorophenyl)-6,7-dihydro-5H-pyrazolo[4,5-b]pyridine-4-carboxamide?
The canonical SMILES for N-[[3-(dimethylsulfamoyl)phenyl]methyl]-1-(4-fluorophenyl)-6,7-dihydro-5H-pyrazolo[4,5-b]pyridine-4-carboxamide is CN(C)S(=O)(=O)c1cccc(CNC(=O)N2CCCc3c2cnn3-c2ccc(F)cc2)c1.
What is the InChIKey of N-[[3-(dimethylsulfamoyl)phenyl]methyl]-1-(4-fluorophenyl)-6,7-dihydro-5H-pyrazolo[4,5-b]pyridine-4-carboxamide?
The InChIKey is JDWVUIHLJXNEON-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24FN5O3S/c1-26(2)32(30,31)19-6-3-5-16(13-19)14-24-22(29)27-12-4-7-20-21(27)15-25-28(20)18-10-8-17(23)9-11-18/h3,5-6,8-11,13,15H,4,7,12,14H2,1-2H3,(H,24,29).
What are the key properties of N-[[3-(dimethylsulfamoyl)phenyl]methyl]-1-(4-fluorophenyl)-6,7-dihydro-5H-pyrazolo[4,5-b]pyridine-4-carboxamide?
N-[[3-(dimethylsulfamoyl)phenyl]methyl]-1-(4-fluorophenyl)-6,7-dihydro-5H-pyrazolo[4,5-b]pyridine-4-carboxamide has a molecular weight of 457.53 g/mol, XLogP of 2.92, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(dimethylsulfamoyl)phenyl]methyl]-1-(4-fluorophenyl)-6,7-dihydro-5H-pyrazolo[4,5-b]pyridine-4-carboxamide is sourced from PubChem (CID 57404747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).