5-(4-benzylphenyl)sulfonyl-N-hydroxy-3-oxo-2-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-4-carboxamide

C26H24N4O5S — CID 10097628

IUPAC5-(4-benzylphenyl)sulfonyl-N-hydroxy-3-oxo-2-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-4-carboxamide
SMILESO=C(NO)C1c2c([nH]n(-c3ccccc3)c2=O)CCN1S(=O)(=O)c1ccc(Cc2ccccc2)cc1
InChIInChI=1S/C26H24N4O5S/c31-25(28-33)24-23-22(27-30(26(23)32)20-9-5-2-6-10-20)15-16-29(24)36(34,35)21-13-11-19(12-14-21)17-18-7-3-1-4-8-18/h1-14,24,27,33H,15-17H2,(H,28,31)
InChIKeySJXKLQZTCFDFQL-UHFFFAOYSA-N
MW504.57 g/mol
LogP2.55
Rot. Bonds6

About 5-(4-benzylphenyl)sulfonyl-N-hydroxy-3-oxo-2-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-4-carboxamide

5-(4-benzylphenyl)sulfonyl-N-hydroxy-3-oxo-2-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-4-carboxamide (PubChem CID 10097628) has the molecular formula C26H24N4O5S and a molecular weight of 504.57 g/mol. Its IUPAC name is 5-(4-benzylphenyl)sulfonyl-N-hydroxy-3-oxo-2-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-4-carboxamide.

Molecular Properties

Compound Name5-(4-benzylphenyl)sulfonyl-N-hydroxy-3-oxo-2-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-4-carboxamide
PubChem CID10097628
Molecular FormulaC26H24N4O5S
Molecular Weight504.57 g/mol
Exact Mass504.15
IUPAC Name5-(4-benzylphenyl)sulfonyl-N-hydroxy-3-oxo-2-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-4-carboxamide
SMILESO=C(NO)C1c2c([nH]n(-c3ccccc3)c2=O)CCN1S(=O)(=O)c1ccc(Cc2ccccc2)cc1
InChIInChI=1S/C26H24N4O5S/c31-25(28-33)24-23-22(27-30(26(23)32)20-9-5-2-6-10-20)15-16-29(24)36(34,35)21-13-11-19(12-14-21)17-18-7-3-1-4-8-18/h1-14,24,27,33H,15-17H2,(H,28,31)
InChIKeySJXKLQZTCFDFQL-UHFFFAOYSA-N
XLogP2.55
TPSA124.50 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500504.57
LogP ≤ 52.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-4-[methyl-(4-methylphenyl)sulfonylamino]butanamide
CID 1928779
2-benzyl-N-hydroxy-3-oxo-5-(3-phenylphenyl)sulfonyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-4-carboxamide
CID 10006316
2-benzyl-N-hydroxy-3-oxo-5-(4-phenylphenyl)sulfonyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-4-carboxamide
CID 10323848
2-benzyl-N-hydroxy-3-oxo-5-(2-phenylphenyl)sulfonyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-4-carboxamide
CID 10346008
N-hydroxy-3-oxo-2-phenyl-5-[4-(2-phenylethyl)phenyl]sulfonyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-4-carboxamide
CID 10346532
2-benzyl-N-hydroxy-5-(4-methylphenyl)sulfonyl-3-oxo-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-4-carboxamide
CID 10433459
N-hydroxy-3-oxo-2-phenyl-5-(4-phenylphenyl)sulfonyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-4-carboxamide
CID 10480722
5-[(4-methylphenyl)sulfonyl]-2-phenyl-1,2,4,5,6,7-hexahydro-3H-pyrazolo[4,3-c]pyridin-3-one
CID 53358167
6-(4-Methylphenyl)sulfonyl-2-phenyl-1,4,5,7-tetrahydropyrazolo[3,4-c]pyridin-3-one
CID 67375808
N-[3-[6-(4-methylphenyl)sulfonyl-3-oxo-1,4,5,7-tetrahydropyrazolo[3,4-c]pyridin-2-yl]phenyl]acetamide
CID 67376945
2-[[2-(Dimethylamino)phenyl]methyl]-6-(4-methylphenyl)sulfonyl-1,4,5,7-tetrahydropyrazolo[3,4-c]pyridin-3-one
CID 67377280
6-(4-Methylphenyl)sulfinyl-2-phenyl-1,4,5,7-tetrahydropyrazolo[3,4-c]pyridin-3-one
CID 144236599

Frequently Asked Questions

What is the IUPAC name of 5-(4-benzylphenyl)sulfonyl-N-hydroxy-3-oxo-2-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-4-carboxamide?
The IUPAC name of 5-(4-benzylphenyl)sulfonyl-N-hydroxy-3-oxo-2-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-4-carboxamide (CID 10097628) is 5-(4-benzylphenyl)sulfonyl-N-hydroxy-3-oxo-2-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-4-carboxamide.
What is the SMILES notation for 5-(4-benzylphenyl)sulfonyl-N-hydroxy-3-oxo-2-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-4-carboxamide?
The canonical SMILES for 5-(4-benzylphenyl)sulfonyl-N-hydroxy-3-oxo-2-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-4-carboxamide is O=C(NO)C1c2c([nH]n(-c3ccccc3)c2=O)CCN1S(=O)(=O)c1ccc(Cc2ccccc2)cc1.
What is the InChIKey of 5-(4-benzylphenyl)sulfonyl-N-hydroxy-3-oxo-2-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-4-carboxamide?
The InChIKey is SJXKLQZTCFDFQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N4O5S/c31-25(28-33)24-23-22(27-30(26(23)32)20-9-5-2-6-10-20)15-16-29(24)36(34,35)21-13-11-19(12-14-21)17-18-7-3-1-4-8-18/h1-14,24,27,33H,15-17H2,(H,28,31).
What are the key properties of 5-(4-benzylphenyl)sulfonyl-N-hydroxy-3-oxo-2-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-4-carboxamide?
5-(4-benzylphenyl)sulfonyl-N-hydroxy-3-oxo-2-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-4-carboxamide has a molecular weight of 504.57 g/mol, XLogP of 2.55, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-benzylphenyl)sulfonyl-N-hydroxy-3-oxo-2-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-4-carboxamide is sourced from PubChem (CID 10097628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).