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

C28H28N4O6S — CID 10482614

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

2-benzyl-N-hydroxy-5-[4-[(3-methylphenyl)methoxy]phenyl]sulfonyl-3-oxo-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-4-carboxamide (PubChem CID 10482614) has the molecular formula C28H28N4O6S and a molecular weight of 548.62 g/mol. Its IUPAC name is 2-benzyl-N-hydroxy-5-[4-[(3-methylphenyl)methoxy]phenyl]sulfonyl-3-oxo-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-4-carboxamide.

Molecular Properties

• Compound Name: 2-benzyl-N-hydroxy-5-[4-[(3-methylphenyl)methoxy]phenyl]sulfonyl-3-oxo-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-4-carboxamide
• PubChem CID: 10482614
• Molecular Formula: C28H28N4O6S
• Molecular Weight: 548.62 g/mol
• Exact Mass: 548.17
• IUPAC Name: 2-benzyl-N-hydroxy-5-[4-[(3-methylphenyl)methoxy]phenyl]sulfonyl-3-oxo-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-4-carboxamide
• SMILES: Cc1cccc(COc2ccc(S(=O)(=O)N3CCc4[nH]n(Cc5ccccc5)c(=O)c4C3C(=O)NO)cc2)c1
• InChI: InChI=1S/C28H28N4O6S/c1-19-6-5-9-21(16-19)18-38-22-10-12-23(13-11-22)39(36,37)32-15-14-24-25(26(32)27(33)30-35)28(34)31(29-24)17-20-7-3-2-4-8-20/h2-13,16,26,29,35H,14-15,17-18H2,1H3,(H,30,33)
• InChIKey: MPGXIRMKKOBFSI-UHFFFAOYSA-N
• XLogP: 2.91
• TPSA: 133.73 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	548.62
LogP ≤ 5	2.91
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-N-hydroxy-5-[4-[(3-methylphenyl)methoxy]phenyl]sulfonyl-3-oxo-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-4-carboxamide?

The IUPAC name of 2-benzyl-N-hydroxy-5-[4-[(3-methylphenyl)methoxy]phenyl]sulfonyl-3-oxo-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-4-carboxamide (CID 10482614) is 2-benzyl-N-hydroxy-5-[4-[(3-methylphenyl)methoxy]phenyl]sulfonyl-3-oxo-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-4-carboxamide.

What is the SMILES notation for 2-benzyl-N-hydroxy-5-[4-[(3-methylphenyl)methoxy]phenyl]sulfonyl-3-oxo-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-4-carboxamide?

The canonical SMILES for 2-benzyl-N-hydroxy-5-[4-[(3-methylphenyl)methoxy]phenyl]sulfonyl-3-oxo-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-4-carboxamide is Cc1cccc(COc2ccc(S(=O)(=O)N3CCc4[nH]n(Cc5ccccc5)c(=O)c4C3C(=O)NO)cc2)c1.

What is the InChIKey of 2-benzyl-N-hydroxy-5-[4-[(3-methylphenyl)methoxy]phenyl]sulfonyl-3-oxo-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-4-carboxamide?

The InChIKey is MPGXIRMKKOBFSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H28N4O6S/c1-19-6-5-9-21(16-19)18-38-22-10-12-23(13-11-22)39(36,37)32-15-14-24-25(26(32)27(33)30-35)28(34)31(29-24)17-20-7-3-2-4-8-20/h2-13,16,26,29,35H,14-15,17-18H2,1H3,(H,30,33).

What are the key properties of 2-benzyl-N-hydroxy-5-[4-[(3-methylphenyl)methoxy]phenyl]sulfonyl-3-oxo-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-4-carboxamide?

2-benzyl-N-hydroxy-5-[4-[(3-methylphenyl)methoxy]phenyl]sulfonyl-3-oxo-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-4-carboxamide has a molecular weight of 548.62 g/mol, XLogP of 2.91, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-benzyl-N-hydroxy-5-[4-[(3-methylphenyl)methoxy]phenyl]sulfonyl-3-oxo-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-4-carboxamide is sourced from PubChem (CID 10482614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).