N-[[4-(benzenesulfonyl)phenyl]methyl]-1H-pyrazolo[4,5-b]pyridine-5-carboxamide

C20H16N4O3S — CID 56943182

IUPACN-[[4-(benzenesulfonyl)phenyl]methyl]-1H-pyrazolo[4,5-b]pyridine-5-carboxamide
SMILESO=C(NCc1ccc(S(=O)(=O)c2ccccc2)cc1)c1ccc2[nH]ncc2n1
InChIInChI=1S/C20H16N4O3S/c25-20(18-11-10-17-19(23-18)13-22-24-17)21-12-14-6-8-16(9-7-14)28(26,27)15-4-2-1-3-5-15/h1-11,13H,12H2,(H,21,25)(H,22,24)
InChIKeyIIABNABCCIQLDJ-UHFFFAOYSA-N
MW392.44 g/mol
LogP2.72
Rot. Bonds5

About N-[[4-(benzenesulfonyl)phenyl]methyl]-1H-pyrazolo[4,5-b]pyridine-5-carboxamide

N-[[4-(benzenesulfonyl)phenyl]methyl]-1H-pyrazolo[4,5-b]pyridine-5-carboxamide (PubChem CID 56943182) has the molecular formula C20H16N4O3S and a molecular weight of 392.44 g/mol. Its IUPAC name is N-[[4-(benzenesulfonyl)phenyl]methyl]-1H-pyrazolo[4,5-b]pyridine-5-carboxamide.

Molecular Properties

Compound NameN-[[4-(benzenesulfonyl)phenyl]methyl]-1H-pyrazolo[4,5-b]pyridine-5-carboxamide
PubChem CID56943182
Molecular FormulaC20H16N4O3S
Molecular Weight392.44 g/mol
Exact Mass392.09
IUPAC NameN-[[4-(benzenesulfonyl)phenyl]methyl]-1H-pyrazolo[4,5-b]pyridine-5-carboxamide
SMILESO=C(NCc1ccc(S(=O)(=O)c2ccccc2)cc1)c1ccc2[nH]ncc2n1
InChIInChI=1S/C20H16N4O3S/c25-20(18-11-10-17-19(23-18)13-22-24-17)21-12-14-6-8-16(9-7-14)28(26,27)15-4-2-1-3-5-15/h1-11,13H,12H2,(H,21,25)(H,22,24)
InChIKeyIIABNABCCIQLDJ-UHFFFAOYSA-N
XLogP2.72
TPSA104.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.44
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(4-sulfamoylphenyl)methyl]quinoline-2-carboxamide
CID 4785409
N-[(4-sulfamoylphenyl)methyl]-1H-indazole-5-carboxamide
CID 18447408
N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]quinoxaline-2-carboxamide
CID 55737335
N-[[4-(benzenesulfonyl)phenyl]methyl]quinoline-6-carboxamide
CID 56943128
N-[[4-(3-ethylphenyl)sulfonylphenyl]methyl]-1H-pyrazolo[3,4-b]pyridine-5-carboxamide
CID 90012417
4-amino-N-[[4-(benzenesulfonyl)phenyl]methyl]-6-chloro-5-cyanopyridine-2-carboxamide
CID 87205338
N-[[4-(hydroxymethyl)phenyl]methyl]quinoline-2-carboxamide
CID 68840052
4-methyl-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]quinoline-2-carboxamide
CID 46974547
4-[[(6-methylpyridine-2-carbonyl)amino]methyl]benzenesulfonyl chloride
CID 43096630
N-benzyl-5-(1H-indazol-5-yl)-1,2-oxazole-3-carboxamide
CID 68738395
N-benzyl-2H-triazole-4-carboxamide
CID 47334751
N-[[4-(4-butylphenyl)sulfonylphenyl]methyl]-1H-pyrazolo[3,4-b]pyridine-5-carboxamide
CID 66613556

Frequently Asked Questions

What is the IUPAC name of N-[[4-(benzenesulfonyl)phenyl]methyl]-1H-pyrazolo[4,5-b]pyridine-5-carboxamide?
The IUPAC name of N-[[4-(benzenesulfonyl)phenyl]methyl]-1H-pyrazolo[4,5-b]pyridine-5-carboxamide (CID 56943182) is N-[[4-(benzenesulfonyl)phenyl]methyl]-1H-pyrazolo[4,5-b]pyridine-5-carboxamide.
What is the SMILES notation for N-[[4-(benzenesulfonyl)phenyl]methyl]-1H-pyrazolo[4,5-b]pyridine-5-carboxamide?
The canonical SMILES for N-[[4-(benzenesulfonyl)phenyl]methyl]-1H-pyrazolo[4,5-b]pyridine-5-carboxamide is O=C(NCc1ccc(S(=O)(=O)c2ccccc2)cc1)c1ccc2[nH]ncc2n1.
What is the InChIKey of N-[[4-(benzenesulfonyl)phenyl]methyl]-1H-pyrazolo[4,5-b]pyridine-5-carboxamide?
The InChIKey is IIABNABCCIQLDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N4O3S/c25-20(18-11-10-17-19(23-18)13-22-24-17)21-12-14-6-8-16(9-7-14)28(26,27)15-4-2-1-3-5-15/h1-11,13H,12H2,(H,21,25)(H,22,24).
What are the key properties of N-[[4-(benzenesulfonyl)phenyl]methyl]-1H-pyrazolo[4,5-b]pyridine-5-carboxamide?
N-[[4-(benzenesulfonyl)phenyl]methyl]-1H-pyrazolo[4,5-b]pyridine-5-carboxamide has a molecular weight of 392.44 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-[[4-(benzenesulfonyl)phenyl]methyl]-1H-pyrazolo[4,5-b]pyridine-5-carboxamide is sourced from PubChem (CID 56943182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).