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

C27H26N4O5S — CID 10346532

IUPACN-hydroxy-3-oxo-2-phenyl-5-[4-(2-phenylethyl)phenyl]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(CCc2ccccc2)cc1
InChIInChI=1S/C27H26N4O5S/c32-26(29-34)25-24-23(28-31(27(24)33)21-9-5-2-6-10-21)17-18-30(25)37(35,36)22-15-13-20(14-16-22)12-11-19-7-3-1-4-8-19/h1-10,13-16,25,28,34H,11-12,17-18H2,(H,29,32)
InChIKeyDRFCMXXUCGVDOK-UHFFFAOYSA-N
MW518.60 g/mol
LogP2.74
Rot. Bonds7

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

N-hydroxy-3-oxo-2-phenyl-5-[4-(2-phenylethyl)phenyl]sulfonyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-4-carboxamide (PubChem CID 10346532) has the molecular formula C27H26N4O5S and a molecular weight of 518.60 g/mol. Its IUPAC name is N-hydroxy-3-oxo-2-phenyl-5-[4-(2-phenylethyl)phenyl]sulfonyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-hydroxy-3-oxo-2-phenyl-5-[4-(2-phenylethyl)phenyl]sulfonyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-4-carboxamide
PubChem CID10346532
Molecular FormulaC27H26N4O5S
Molecular Weight518.60 g/mol
Exact Mass518.16
IUPAC NameN-hydroxy-3-oxo-2-phenyl-5-[4-(2-phenylethyl)phenyl]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(CCc2ccccc2)cc1
InChIInChI=1S/C27H26N4O5S/c32-26(29-34)25-24-23(28-31(27(24)33)21-9-5-2-6-10-21)17-18-30(25)37(35,36)22-15-13-20(14-16-22)12-11-19-7-3-1-4-8-19/h1-10,13-16,25,28,34H,11-12,17-18H2,(H,29,32)
InChIKeyDRFCMXXUCGVDOK-UHFFFAOYSA-N
XLogP2.74
TPSA124.50 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500518.60
LogP ≤ 52.74
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-(2-phenylethyl)phenyl]sulfonyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-4-carboxamide?
The IUPAC name of 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) is N-hydroxy-3-oxo-2-phenyl-5-[4-(2-phenylethyl)phenyl]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-(2-phenylethyl)phenyl]sulfonyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-4-carboxamide?
The canonical SMILES for N-hydroxy-3-oxo-2-phenyl-5-[4-(2-phenylethyl)phenyl]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(CCc2ccccc2)cc1.
What is the InChIKey of N-hydroxy-3-oxo-2-phenyl-5-[4-(2-phenylethyl)phenyl]sulfonyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-4-carboxamide?
The InChIKey is DRFCMXXUCGVDOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26N4O5S/c32-26(29-34)25-24-23(28-31(27(24)33)21-9-5-2-6-10-21)17-18-30(25)37(35,36)22-15-13-20(14-16-22)12-11-19-7-3-1-4-8-19/h1-10,13-16,25,28,34H,11-12,17-18H2,(H,29,32).
What are the key properties of N-hydroxy-3-oxo-2-phenyl-5-[4-(2-phenylethyl)phenyl]sulfonyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-4-carboxamide?
N-hydroxy-3-oxo-2-phenyl-5-[4-(2-phenylethyl)phenyl]sulfonyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-4-carboxamide has a molecular weight of 518.60 g/mol, XLogP of 2.74, 7 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-(2-phenylethyl)phenyl]sulfonyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-4-carboxamide is sourced from PubChem (CID 10346532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).