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

C25H22N4O5S — CID 10480722

IUPACN-hydroxy-3-oxo-2-phenyl-5-(4-phenylphenyl)sulfonyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-4-carboxamide
SMILESO=C(NO)C1c2c([nH]n(-c3ccccc3)c2=O)CCN1S(=O)(=O)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C25H22N4O5S/c30-24(27-32)23-22-21(26-29(25(22)31)19-9-5-2-6-10-19)15-16-28(23)35(33,34)20-13-11-18(12-14-20)17-7-3-1-4-8-17/h1-14,23,26,32H,15-16H2,(H,27,30)
InChIKeyLRIDMDRUBATENR-UHFFFAOYSA-N
MW490.54 g/mol
LogP2.63
Rot. Bonds5

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

N-hydroxy-3-oxo-2-phenyl-5-(4-phenylphenyl)sulfonyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-4-carboxamide (PubChem CID 10480722) has the molecular formula C25H22N4O5S and a molecular weight of 490.54 g/mol. Its IUPAC name is N-hydroxy-3-oxo-2-phenyl-5-(4-phenylphenyl)sulfonyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-hydroxy-3-oxo-2-phenyl-5-(4-phenylphenyl)sulfonyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-4-carboxamide
PubChem CID10480722
Molecular FormulaC25H22N4O5S
Molecular Weight490.54 g/mol
Exact Mass490.13
IUPAC NameN-hydroxy-3-oxo-2-phenyl-5-(4-phenylphenyl)sulfonyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-4-carboxamide
SMILESO=C(NO)C1c2c([nH]n(-c3ccccc3)c2=O)CCN1S(=O)(=O)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C25H22N4O5S/c30-24(27-32)23-22-21(26-29(25(22)31)19-9-5-2-6-10-19)15-16-28(23)35(33,34)20-13-11-18(12-14-20)17-7-3-1-4-8-17/h1-14,23,26,32H,15-16H2,(H,27,30)
InChIKeyLRIDMDRUBATENR-UHFFFAOYSA-N
XLogP2.63
TPSA124.50 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.54
LogP ≤ 52.63
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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Frequently Asked Questions

What is the IUPAC name of N-hydroxy-3-oxo-2-phenyl-5-(4-phenylphenyl)sulfonyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-4-carboxamide?
The IUPAC name of N-hydroxy-3-oxo-2-phenyl-5-(4-phenylphenyl)sulfonyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-4-carboxamide (CID 10480722) is N-hydroxy-3-oxo-2-phenyl-5-(4-phenylphenyl)sulfonyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-4-carboxamide.
What is the SMILES notation for N-hydroxy-3-oxo-2-phenyl-5-(4-phenylphenyl)sulfonyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-4-carboxamide?
The canonical SMILES for N-hydroxy-3-oxo-2-phenyl-5-(4-phenylphenyl)sulfonyl-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(-c2ccccc2)cc1.
What is the InChIKey of N-hydroxy-3-oxo-2-phenyl-5-(4-phenylphenyl)sulfonyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-4-carboxamide?
The InChIKey is LRIDMDRUBATENR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22N4O5S/c30-24(27-32)23-22-21(26-29(25(22)31)19-9-5-2-6-10-19)15-16-28(23)35(33,34)20-13-11-18(12-14-20)17-7-3-1-4-8-17/h1-14,23,26,32H,15-16H2,(H,27,30).
What are the key properties of N-hydroxy-3-oxo-2-phenyl-5-(4-phenylphenyl)sulfonyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-4-carboxamide?
N-hydroxy-3-oxo-2-phenyl-5-(4-phenylphenyl)sulfonyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-4-carboxamide has a molecular weight of 490.54 g/mol, XLogP of 2.63, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-3-oxo-2-phenyl-5-(4-phenylphenyl)sulfonyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-4-carboxamide is sourced from PubChem (CID 10480722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).