N-hydroxy-2-morpholin-4-yl-3-[[4-(pyrazolo[1,5-a]pyridin-3-ylmethoxy)phenyl]sulfonylamino]propanamide

C21H25N5O6S — CID 75306239

IUPACN-hydroxy-2-morpholin-4-yl-3-[[4-(pyrazolo[1,5-a]pyridin-3-ylmethoxy)phenyl]sulfonylamino]propanamide
SMILESO=C(NO)C(CNS(=O)(=O)c1ccc(OCc2cnn3ccccc23)cc1)N1CCOCC1
InChIInChI=1S/C21H25N5O6S/c27-21(24-28)20(25-9-11-31-12-10-25)14-23-33(29,30)18-6-4-17(5-7-18)32-15-16-13-22-26-8-2-1-3-19(16)26/h1-8,13,20,23,28H,9-12,14-15H2,(H,24,27)
InChIKeyWIBUYRXHVLUFRB-UHFFFAOYSA-N
MW475.53 g/mol
LogP0.40
Rot. Bonds9

About N-hydroxy-2-morpholin-4-yl-3-[[4-(pyrazolo[1,5-a]pyridin-3-ylmethoxy)phenyl]sulfonylamino]propanamide

N-hydroxy-2-morpholin-4-yl-3-[[4-(pyrazolo[1,5-a]pyridin-3-ylmethoxy)phenyl]sulfonylamino]propanamide (PubChem CID 75306239) has the molecular formula C21H25N5O6S and a molecular weight of 475.53 g/mol. Its IUPAC name is N-hydroxy-2-morpholin-4-yl-3-[[4-(pyrazolo[1,5-a]pyridin-3-ylmethoxy)phenyl]sulfonylamino]propanamide.

Molecular Properties

Compound NameN-hydroxy-2-morpholin-4-yl-3-[[4-(pyrazolo[1,5-a]pyridin-3-ylmethoxy)phenyl]sulfonylamino]propanamide
PubChem CID75306239
Molecular FormulaC21H25N5O6S
Molecular Weight475.53 g/mol
Exact Mass475.15
IUPAC NameN-hydroxy-2-morpholin-4-yl-3-[[4-(pyrazolo[1,5-a]pyridin-3-ylmethoxy)phenyl]sulfonylamino]propanamide
SMILESO=C(NO)C(CNS(=O)(=O)c1ccc(OCc2cnn3ccccc23)cc1)N1CCOCC1
InChIInChI=1S/C21H25N5O6S/c27-21(24-28)20(25-9-11-31-12-10-25)14-23-33(29,30)18-6-4-17(5-7-18)32-15-16-13-22-26-8-2-1-3-19(16)26/h1-8,13,20,23,28H,9-12,14-15H2,(H,24,27)
InChIKeyWIBUYRXHVLUFRB-UHFFFAOYSA-N
XLogP0.40
TPSA134.50 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.53
LogP ≤ 50.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

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-2-morpholin-4-yl-3-[[4-(pyrazolo[1,5-a]pyridin-3-ylmethoxy)phenyl]sulfonylamino]propanamide?
The IUPAC name of N-hydroxy-2-morpholin-4-yl-3-[[4-(pyrazolo[1,5-a]pyridin-3-ylmethoxy)phenyl]sulfonylamino]propanamide (CID 75306239) is N-hydroxy-2-morpholin-4-yl-3-[[4-(pyrazolo[1,5-a]pyridin-3-ylmethoxy)phenyl]sulfonylamino]propanamide.
What is the SMILES notation for N-hydroxy-2-morpholin-4-yl-3-[[4-(pyrazolo[1,5-a]pyridin-3-ylmethoxy)phenyl]sulfonylamino]propanamide?
The canonical SMILES for N-hydroxy-2-morpholin-4-yl-3-[[4-(pyrazolo[1,5-a]pyridin-3-ylmethoxy)phenyl]sulfonylamino]propanamide is O=C(NO)C(CNS(=O)(=O)c1ccc(OCc2cnn3ccccc23)cc1)N1CCOCC1.
What is the InChIKey of N-hydroxy-2-morpholin-4-yl-3-[[4-(pyrazolo[1,5-a]pyridin-3-ylmethoxy)phenyl]sulfonylamino]propanamide?
The InChIKey is WIBUYRXHVLUFRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N5O6S/c27-21(24-28)20(25-9-11-31-12-10-25)14-23-33(29,30)18-6-4-17(5-7-18)32-15-16-13-22-26-8-2-1-3-19(16)26/h1-8,13,20,23,28H,9-12,14-15H2,(H,24,27).
What are the key properties of N-hydroxy-2-morpholin-4-yl-3-[[4-(pyrazolo[1,5-a]pyridin-3-ylmethoxy)phenyl]sulfonylamino]propanamide?
N-hydroxy-2-morpholin-4-yl-3-[[4-(pyrazolo[1,5-a]pyridin-3-ylmethoxy)phenyl]sulfonylamino]propanamide has a molecular weight of 475.53 g/mol, XLogP of 0.40, 9 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-2-morpholin-4-yl-3-[[4-(pyrazolo[1,5-a]pyridin-3-ylmethoxy)phenyl]sulfonylamino]propanamide is sourced from PubChem (CID 75306239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).