(3R,4R)-N-hydroxy-4-[[4-[[2-(trifluoromethyl)pyrazolo[1,5-a]pyridin-3-yl]methyl]benzoyl]amino]oxane-3-carboxamide

C22H21F3N4O4 — CID 25022681

IUPAC(3R,4R)-N-hydroxy-4-[[4-[[2-(trifluoromethyl)pyrazolo[1,5-a]pyridin-3-yl]methyl]benzoyl]amino]oxane-3-carboxamide
SMILESO=C(N[C@@H]1CCOC[C@@H]1C(=O)NO)c1ccc(Cc2c(C(F)(F)F)nn3ccccc23)cc1
InChIInChI=1S/C22H21F3N4O4/c23-22(24,25)19-15(18-3-1-2-9-29(18)27-19)11-13-4-6-14(7-5-13)20(30)26-17-8-10-33-12-16(17)21(31)28-32/h1-7,9,16-17,32H,8,10-12H2,(H,26,30)(H,28,31)/t16-,17+/m0/s1
InChIKeySXDMGWZDRWQMPS-DLBZAZTESA-N
MW462.43 g/mol
LogP2.58
Rot. Bonds5

About (3R,4R)-N-hydroxy-4-[[4-[[2-(trifluoromethyl)pyrazolo[1,5-a]pyridin-3-yl]methyl]benzoyl]amino]oxane-3-carboxamide

(3R,4R)-N-hydroxy-4-[[4-[[2-(trifluoromethyl)pyrazolo[1,5-a]pyridin-3-yl]methyl]benzoyl]amino]oxane-3-carboxamide (PubChem CID 25022681) has the molecular formula C22H21F3N4O4 and a molecular weight of 462.43 g/mol. Its IUPAC name is (3R,4R)-N-hydroxy-4-[[4-[[2-(trifluoromethyl)pyrazolo[1,5-a]pyridin-3-yl]methyl]benzoyl]amino]oxane-3-carboxamide.

Molecular Properties

Compound Name(3R,4R)-N-hydroxy-4-[[4-[[2-(trifluoromethyl)pyrazolo[1,5-a]pyridin-3-yl]methyl]benzoyl]amino]oxane-3-carboxamide
PubChem CID25022681
Molecular FormulaC22H21F3N4O4
Molecular Weight462.43 g/mol
Exact Mass462.15
IUPAC Name(3R,4R)-N-hydroxy-4-[[4-[[2-(trifluoromethyl)pyrazolo[1,5-a]pyridin-3-yl]methyl]benzoyl]amino]oxane-3-carboxamide
SMILESO=C(N[C@@H]1CCOC[C@@H]1C(=O)NO)c1ccc(Cc2c(C(F)(F)F)nn3ccccc23)cc1
InChIInChI=1S/C22H21F3N4O4/c23-22(24,25)19-15(18-3-1-2-9-29(18)27-19)11-13-4-6-14(7-5-13)20(30)26-17-8-10-33-12-16(17)21(31)28-32/h1-7,9,16-17,32H,8,10-12H2,(H,26,30)(H,28,31)/t16-,17+/m0/s1
InChIKeySXDMGWZDRWQMPS-DLBZAZTESA-N
XLogP2.58
TPSA104.96 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.43
LogP ≤ 52.58
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 (3R,4R)-N-hydroxy-4-[[4-[[2-(trifluoromethyl)pyrazolo[1,5-a]pyridin-3-yl]methyl]benzoyl]amino]oxane-3-carboxamide?
The IUPAC name of (3R,4R)-N-hydroxy-4-[[4-[[2-(trifluoromethyl)pyrazolo[1,5-a]pyridin-3-yl]methyl]benzoyl]amino]oxane-3-carboxamide (CID 25022681) is (3R,4R)-N-hydroxy-4-[[4-[[2-(trifluoromethyl)pyrazolo[1,5-a]pyridin-3-yl]methyl]benzoyl]amino]oxane-3-carboxamide.
What is the SMILES notation for (3R,4R)-N-hydroxy-4-[[4-[[2-(trifluoromethyl)pyrazolo[1,5-a]pyridin-3-yl]methyl]benzoyl]amino]oxane-3-carboxamide?
The canonical SMILES for (3R,4R)-N-hydroxy-4-[[4-[[2-(trifluoromethyl)pyrazolo[1,5-a]pyridin-3-yl]methyl]benzoyl]amino]oxane-3-carboxamide is O=C(N[C@@H]1CCOC[C@@H]1C(=O)NO)c1ccc(Cc2c(C(F)(F)F)nn3ccccc23)cc1.
What is the InChIKey of (3R,4R)-N-hydroxy-4-[[4-[[2-(trifluoromethyl)pyrazolo[1,5-a]pyridin-3-yl]methyl]benzoyl]amino]oxane-3-carboxamide?
The InChIKey is SXDMGWZDRWQMPS-DLBZAZTESA-N. The full InChI is InChI=1S/C22H21F3N4O4/c23-22(24,25)19-15(18-3-1-2-9-29(18)27-19)11-13-4-6-14(7-5-13)20(30)26-17-8-10-33-12-16(17)21(31)28-32/h1-7,9,16-17,32H,8,10-12H2,(H,26,30)(H,28,31)/t16-,17+/m0/s1.
What are the key properties of (3R,4R)-N-hydroxy-4-[[4-[[2-(trifluoromethyl)pyrazolo[1,5-a]pyridin-3-yl]methyl]benzoyl]amino]oxane-3-carboxamide?
(3R,4R)-N-hydroxy-4-[[4-[[2-(trifluoromethyl)pyrazolo[1,5-a]pyridin-3-yl]methyl]benzoyl]amino]oxane-3-carboxamide has a molecular weight of 462.43 g/mol, XLogP of 2.58, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-N-hydroxy-4-[[4-[[2-(trifluoromethyl)pyrazolo[1,5-a]pyridin-3-yl]methyl]benzoyl]amino]oxane-3-carboxamide is sourced from PubChem (CID 25022681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).