N-[[2-fluoro-4-(methylsulfamoyl)phenyl]methyl]-1-(4-fluorophenyl)-6,7-dihydro-5H-pyrazolo[4,5-b]pyridine-4-carboxamide

C21H21F2N5O3S — CID 57404929

IUPACN-[[2-fluoro-4-(methylsulfamoyl)phenyl]methyl]-1-(4-fluorophenyl)-6,7-dihydro-5H-pyrazolo[4,5-b]pyridine-4-carboxamide
SMILESCNS(=O)(=O)c1ccc(CNC(=O)N2CCCc3c2cnn3-c2ccc(F)cc2)c(F)c1
InChIInChI=1S/C21H21F2N5O3S/c1-24-32(30,31)17-9-4-14(18(23)11-17)12-25-21(29)27-10-2-3-19-20(27)13-26-28(19)16-7-5-15(22)6-8-16/h4-9,11,13,24H,2-3,10,12H2,1H3,(H,25,29)
InChIKeyQDGQZAMNQIYBKJ-UHFFFAOYSA-N
MW461.49 g/mol
LogP2.72
Rot. Bonds5

About N-[[2-fluoro-4-(methylsulfamoyl)phenyl]methyl]-1-(4-fluorophenyl)-6,7-dihydro-5H-pyrazolo[4,5-b]pyridine-4-carboxamide

N-[[2-fluoro-4-(methylsulfamoyl)phenyl]methyl]-1-(4-fluorophenyl)-6,7-dihydro-5H-pyrazolo[4,5-b]pyridine-4-carboxamide (PubChem CID 57404929) has the molecular formula C21H21F2N5O3S and a molecular weight of 461.49 g/mol. Its IUPAC name is N-[[2-fluoro-4-(methylsulfamoyl)phenyl]methyl]-1-(4-fluorophenyl)-6,7-dihydro-5H-pyrazolo[4,5-b]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[[2-fluoro-4-(methylsulfamoyl)phenyl]methyl]-1-(4-fluorophenyl)-6,7-dihydro-5H-pyrazolo[4,5-b]pyridine-4-carboxamide
PubChem CID57404929
Molecular FormulaC21H21F2N5O3S
Molecular Weight461.49 g/mol
Exact Mass461.13
IUPAC NameN-[[2-fluoro-4-(methylsulfamoyl)phenyl]methyl]-1-(4-fluorophenyl)-6,7-dihydro-5H-pyrazolo[4,5-b]pyridine-4-carboxamide
SMILESCNS(=O)(=O)c1ccc(CNC(=O)N2CCCc3c2cnn3-c2ccc(F)cc2)c(F)c1
InChIInChI=1S/C21H21F2N5O3S/c1-24-32(30,31)17-9-4-14(18(23)11-17)12-25-21(29)27-10-2-3-19-20(27)13-26-28(19)16-7-5-15(22)6-8-16/h4-9,11,13,24H,2-3,10,12H2,1H3,(H,25,29)
InChIKeyQDGQZAMNQIYBKJ-UHFFFAOYSA-N
XLogP2.72
TPSA96.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.49
LogP ≤ 52.72
H-Bond Donors ≤ 52
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]prop-2-en-1-amine
CID 11706478
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
N-[[(4aS)-6-(4-tert-butylphenyl)sulfonyl-1-(4-fluorophenyl)-4,5,7,8-tetrahydropyrazolo[5,4-g]isoquinolin-4a-yl]methyl]ethanamine
CID 44454647
4-{5-Phenyl-3-[3-(3-trifluoromethyl-phenyl)-ureidomethyl]-pyrazol-1-yl}-benzenesulfonamide
CID 52951613
1-(5-Methylpyrrolo[1,2-b]pyridazin-6-yl)-3-[(4-sulfamoylphenyl)carbamothioyl]urea
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CID 164622205
4-{5-phenyl-4-[(4-sulfamoylphenyl)carbamamido]-1H-pyrazol-1-yl}benzene-1-sulfonamide
CID 155811826
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CID 72546534
1-(4-Fluorophenyl)-3-[5-phenyl-1-(4-sulfamoylphenyl)pyrazol-4-yl]urea
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1-Phenyl-3-[5-phenyl-1-(4-sulfamoylphenyl)pyrazol-4-yl]urea
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US20250101019, Example 62
CID 172398759

Frequently Asked Questions

What is the IUPAC name of N-[[2-fluoro-4-(methylsulfamoyl)phenyl]methyl]-1-(4-fluorophenyl)-6,7-dihydro-5H-pyrazolo[4,5-b]pyridine-4-carboxamide?
The IUPAC name of N-[[2-fluoro-4-(methylsulfamoyl)phenyl]methyl]-1-(4-fluorophenyl)-6,7-dihydro-5H-pyrazolo[4,5-b]pyridine-4-carboxamide (CID 57404929) is N-[[2-fluoro-4-(methylsulfamoyl)phenyl]methyl]-1-(4-fluorophenyl)-6,7-dihydro-5H-pyrazolo[4,5-b]pyridine-4-carboxamide.
What is the SMILES notation for N-[[2-fluoro-4-(methylsulfamoyl)phenyl]methyl]-1-(4-fluorophenyl)-6,7-dihydro-5H-pyrazolo[4,5-b]pyridine-4-carboxamide?
The canonical SMILES for N-[[2-fluoro-4-(methylsulfamoyl)phenyl]methyl]-1-(4-fluorophenyl)-6,7-dihydro-5H-pyrazolo[4,5-b]pyridine-4-carboxamide is CNS(=O)(=O)c1ccc(CNC(=O)N2CCCc3c2cnn3-c2ccc(F)cc2)c(F)c1.
What is the InChIKey of N-[[2-fluoro-4-(methylsulfamoyl)phenyl]methyl]-1-(4-fluorophenyl)-6,7-dihydro-5H-pyrazolo[4,5-b]pyridine-4-carboxamide?
The InChIKey is QDGQZAMNQIYBKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21F2N5O3S/c1-24-32(30,31)17-9-4-14(18(23)11-17)12-25-21(29)27-10-2-3-19-20(27)13-26-28(19)16-7-5-15(22)6-8-16/h4-9,11,13,24H,2-3,10,12H2,1H3,(H,25,29).
What are the key properties of N-[[2-fluoro-4-(methylsulfamoyl)phenyl]methyl]-1-(4-fluorophenyl)-6,7-dihydro-5H-pyrazolo[4,5-b]pyridine-4-carboxamide?
N-[[2-fluoro-4-(methylsulfamoyl)phenyl]methyl]-1-(4-fluorophenyl)-6,7-dihydro-5H-pyrazolo[4,5-b]pyridine-4-carboxamide has a molecular weight of 461.49 g/mol, XLogP of 2.72, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-fluoro-4-(methylsulfamoyl)phenyl]methyl]-1-(4-fluorophenyl)-6,7-dihydro-5H-pyrazolo[4,5-b]pyridine-4-carboxamide is sourced from PubChem (CID 57404929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).