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

C25H26F2N4O6S — CID 139996629

IUPAC2-cyclopentyl-5-[4-[(2,4-difluorophenyl)methoxy]phenyl]sulfonyl-N-hydroxy-3-oxo-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-4-carboxamide
SMILESO=C(NO)C1c2c([nH]n(C3CCCC3)c2=O)CCN1S(=O)(=O)c1ccc(OCc2ccc(F)cc2F)cc1
InChIInChI=1S/C25H26F2N4O6S/c26-16-6-5-15(20(27)13-16)14-37-18-7-9-19(10-8-18)38(35,36)30-12-11-21-22(23(30)24(32)29-34)25(33)31(28-21)17-3-1-2-4-17/h5-10,13,17,23,28,34H,1-4,11-12,14H2,(H,29,32)
InChIKeyFHNYJUBCDBKOLQ-UHFFFAOYSA-N
MW548.57 g/mol
LogP2.94
Rot. Bonds7

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

2-cyclopentyl-5-[4-[(2,4-difluorophenyl)methoxy]phenyl]sulfonyl-N-hydroxy-3-oxo-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-4-carboxamide (PubChem CID 139996629) has the molecular formula C25H26F2N4O6S and a molecular weight of 548.57 g/mol. Its IUPAC name is 2-cyclopentyl-5-[4-[(2,4-difluorophenyl)methoxy]phenyl]sulfonyl-N-hydroxy-3-oxo-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-4-carboxamide.

Molecular Properties

Compound Name2-cyclopentyl-5-[4-[(2,4-difluorophenyl)methoxy]phenyl]sulfonyl-N-hydroxy-3-oxo-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-4-carboxamide
PubChem CID139996629
Molecular FormulaC25H26F2N4O6S
Molecular Weight548.57 g/mol
Exact Mass548.15
IUPAC Name2-cyclopentyl-5-[4-[(2,4-difluorophenyl)methoxy]phenyl]sulfonyl-N-hydroxy-3-oxo-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-4-carboxamide
SMILESO=C(NO)C1c2c([nH]n(C3CCCC3)c2=O)CCN1S(=O)(=O)c1ccc(OCc2ccc(F)cc2F)cc1
InChIInChI=1S/C25H26F2N4O6S/c26-16-6-5-15(20(27)13-16)14-37-18-7-9-19(10-8-18)38(35,36)30-12-11-21-22(23(30)24(32)29-34)25(33)31(28-21)17-3-1-2-4-17/h5-10,13,17,23,28,34H,1-4,11-12,14H2,(H,29,32)
InChIKeyFHNYJUBCDBKOLQ-UHFFFAOYSA-N
XLogP2.94
TPSA133.73 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500548.57
LogP ≤ 52.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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 2-cyclopentyl-5-[4-[(2,4-difluorophenyl)methoxy]phenyl]sulfonyl-N-hydroxy-3-oxo-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-4-carboxamide?
The IUPAC name of 2-cyclopentyl-5-[4-[(2,4-difluorophenyl)methoxy]phenyl]sulfonyl-N-hydroxy-3-oxo-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-4-carboxamide (CID 139996629) is 2-cyclopentyl-5-[4-[(2,4-difluorophenyl)methoxy]phenyl]sulfonyl-N-hydroxy-3-oxo-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-4-carboxamide.
What is the SMILES notation for 2-cyclopentyl-5-[4-[(2,4-difluorophenyl)methoxy]phenyl]sulfonyl-N-hydroxy-3-oxo-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-4-carboxamide?
The canonical SMILES for 2-cyclopentyl-5-[4-[(2,4-difluorophenyl)methoxy]phenyl]sulfonyl-N-hydroxy-3-oxo-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-4-carboxamide is O=C(NO)C1c2c([nH]n(C3CCCC3)c2=O)CCN1S(=O)(=O)c1ccc(OCc2ccc(F)cc2F)cc1.
What is the InChIKey of 2-cyclopentyl-5-[4-[(2,4-difluorophenyl)methoxy]phenyl]sulfonyl-N-hydroxy-3-oxo-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-4-carboxamide?
The InChIKey is FHNYJUBCDBKOLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26F2N4O6S/c26-16-6-5-15(20(27)13-16)14-37-18-7-9-19(10-8-18)38(35,36)30-12-11-21-22(23(30)24(32)29-34)25(33)31(28-21)17-3-1-2-4-17/h5-10,13,17,23,28,34H,1-4,11-12,14H2,(H,29,32).
What are the key properties of 2-cyclopentyl-5-[4-[(2,4-difluorophenyl)methoxy]phenyl]sulfonyl-N-hydroxy-3-oxo-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-4-carboxamide?
2-cyclopentyl-5-[4-[(2,4-difluorophenyl)methoxy]phenyl]sulfonyl-N-hydroxy-3-oxo-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-4-carboxamide has a molecular weight of 548.57 g/mol, XLogP of 2.94, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-5-[4-[(2,4-difluorophenyl)methoxy]phenyl]sulfonyl-N-hydroxy-3-oxo-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-4-carboxamide is sourced from PubChem (CID 139996629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).