ethyl 5-[(3,5-difluorophenyl)sulfonylamino]pyrazolo[1,5-a]pyridine-3-carboxylate

C16H13F2N3O4S — CID 90556795

IUPACethyl 5-[(3,5-difluorophenyl)sulfonylamino]pyrazolo[1,5-a]pyridine-3-carboxylate
SMILESCCOC(=O)c1cnn2ccc(NS(=O)(=O)c3cc(F)cc(F)c3)cc12
InChIInChI=1S/C16H13F2N3O4S/c1-2-25-16(22)14-9-19-21-4-3-12(8-15(14)21)20-26(23,24)13-6-10(17)5-11(18)7-13/h3-9,20H,2H2,1H3
InChIKeyOVDBQJAXYJQWBC-UHFFFAOYSA-N
MW381.36 g/mol
LogP2.59
Rot. Bonds5

About ethyl 5-[(3,5-difluorophenyl)sulfonylamino]pyrazolo[1,5-a]pyridine-3-carboxylate

ethyl 5-[(3,5-difluorophenyl)sulfonylamino]pyrazolo[1,5-a]pyridine-3-carboxylate (PubChem CID 90556795) has the molecular formula C16H13F2N3O4S and a molecular weight of 381.36 g/mol. Its IUPAC name is ethyl 5-[(3,5-difluorophenyl)sulfonylamino]pyrazolo[1,5-a]pyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 5-[(3,5-difluorophenyl)sulfonylamino]pyrazolo[1,5-a]pyridine-3-carboxylate
PubChem CID90556795
Molecular FormulaC16H13F2N3O4S
Molecular Weight381.36 g/mol
Exact Mass381.06
IUPAC Nameethyl 5-[(3,5-difluorophenyl)sulfonylamino]pyrazolo[1,5-a]pyridine-3-carboxylate
SMILESCCOC(=O)c1cnn2ccc(NS(=O)(=O)c3cc(F)cc(F)c3)cc12
InChIInChI=1S/C16H13F2N3O4S/c1-2-25-16(22)14-9-19-21-4-3-12(8-15(14)21)20-26(23,24)13-6-10(17)5-11(18)7-13/h3-9,20H,2H2,1H3
InChIKeyOVDBQJAXYJQWBC-UHFFFAOYSA-N
XLogP2.59
TPSA89.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.36
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 5-[(3,4-dimethylphenyl)sulfonylamino]pyrazolo[1,5-a]pyridine-3-carboxylate
CID 90556752
ethyl 5-[(4-fluorobenzoyl)amino]pyrazolo[1,5-a]pyridine-3-carboxylate
CID 90556567
ethyl 5-[(2-methyl-5-nitrophenyl)sulfonylamino]pyrazolo[1,5-a]pyridine-3-carboxylate
CID 90556763
ethyl 5-[(2-chloroacetyl)amino]pyrazolo[1,5-a]pyridine-3-carboxylate
CID 90556540
ethyl 5-[[2-(4-fluorophenyl)sulfanylacetyl]amino]pyrazolo[1,5-a]pyridine-3-carboxylate
CID 90556650
ethyl 5-(1,2-oxazole-5-carbonylamino)pyrazolo[1,5-a]pyridine-3-carboxylate
CID 90556491
ethyl 5-[(2-methylbenzoyl)amino]pyrazolo[1,5-a]pyridine-3-carboxylate
CID 71797784
ethyl 5-[[4-(trifluoromethyl)benzoyl]amino]pyrazolo[1,5-a]pyridine-3-carboxylate
CID 90556586
ethyl 5-[(2-chlorobenzoyl)amino]pyrazolo[1,5-a]pyridine-3-carboxylate
CID 71797786
ethyl 5-[[(E)-3-methylsulfanylprop-2-enoyl]amino]pyrazolo[1,5-a]pyridine-3-carboxylate
CID 166330114
ethyl 5-[[2-(2-chlorophenyl)acetyl]amino]pyrazolo[1,5-a]pyridine-3-carboxylate
CID 71797808
ethyl 5-(hydroxymethyl)pyrazolo[1,5-a]pyridine-3-carboxylate
CID 71464261

Frequently Asked Questions

What is the IUPAC name of ethyl 5-[(3,5-difluorophenyl)sulfonylamino]pyrazolo[1,5-a]pyridine-3-carboxylate?
The IUPAC name of ethyl 5-[(3,5-difluorophenyl)sulfonylamino]pyrazolo[1,5-a]pyridine-3-carboxylate (CID 90556795) is ethyl 5-[(3,5-difluorophenyl)sulfonylamino]pyrazolo[1,5-a]pyridine-3-carboxylate.
What is the SMILES notation for ethyl 5-[(3,5-difluorophenyl)sulfonylamino]pyrazolo[1,5-a]pyridine-3-carboxylate?
The canonical SMILES for ethyl 5-[(3,5-difluorophenyl)sulfonylamino]pyrazolo[1,5-a]pyridine-3-carboxylate is CCOC(=O)c1cnn2ccc(NS(=O)(=O)c3cc(F)cc(F)c3)cc12.
What is the InChIKey of ethyl 5-[(3,5-difluorophenyl)sulfonylamino]pyrazolo[1,5-a]pyridine-3-carboxylate?
The InChIKey is OVDBQJAXYJQWBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13F2N3O4S/c1-2-25-16(22)14-9-19-21-4-3-12(8-15(14)21)20-26(23,24)13-6-10(17)5-11(18)7-13/h3-9,20H,2H2,1H3.
What are the key properties of ethyl 5-[(3,5-difluorophenyl)sulfonylamino]pyrazolo[1,5-a]pyridine-3-carboxylate?
ethyl 5-[(3,5-difluorophenyl)sulfonylamino]pyrazolo[1,5-a]pyridine-3-carboxylate has a molecular weight of 381.36 g/mol, XLogP of 2.59, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-[(3,5-difluorophenyl)sulfonylamino]pyrazolo[1,5-a]pyridine-3-carboxylate is sourced from PubChem (CID 90556795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).