ethyl 5-[[2-(4-fluorophenyl)sulfanylacetyl]amino]pyrazolo[1,5-a]pyridine-3-carboxylate

C18H16FN3O3S — CID 90556650

IUPACethyl 5-[[2-(4-fluorophenyl)sulfanylacetyl]amino]pyrazolo[1,5-a]pyridine-3-carboxylate
SMILESCCOC(=O)c1cnn2ccc(NC(=O)CSc3ccc(F)cc3)cc12
InChIInChI=1S/C18H16FN3O3S/c1-2-25-18(24)15-10-20-22-8-7-13(9-16(15)22)21-17(23)11-26-14-5-3-12(19)4-6-14/h3-10H,2,11H2,1H3,(H,21,23)
InChIKeyYMXFSTXBVBKBFE-UHFFFAOYSA-N
MW373.41 g/mol
LogP3.38
Rot. Bonds6

About ethyl 5-[[2-(4-fluorophenyl)sulfanylacetyl]amino]pyrazolo[1,5-a]pyridine-3-carboxylate

ethyl 5-[[2-(4-fluorophenyl)sulfanylacetyl]amino]pyrazolo[1,5-a]pyridine-3-carboxylate (PubChem CID 90556650) has the molecular formula C18H16FN3O3S and a molecular weight of 373.41 g/mol. Its IUPAC name is ethyl 5-[[2-(4-fluorophenyl)sulfanylacetyl]amino]pyrazolo[1,5-a]pyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 5-[[2-(4-fluorophenyl)sulfanylacetyl]amino]pyrazolo[1,5-a]pyridine-3-carboxylate
PubChem CID90556650
Molecular FormulaC18H16FN3O3S
Molecular Weight373.41 g/mol
Exact Mass373.09
IUPAC Nameethyl 5-[[2-(4-fluorophenyl)sulfanylacetyl]amino]pyrazolo[1,5-a]pyridine-3-carboxylate
SMILESCCOC(=O)c1cnn2ccc(NC(=O)CSc3ccc(F)cc3)cc12
InChIInChI=1S/C18H16FN3O3S/c1-2-25-18(24)15-10-20-22-8-7-13(9-16(15)22)21-17(23)11-26-14-5-3-12(19)4-6-14/h3-10H,2,11H2,1H3,(H,21,23)
InChIKeyYMXFSTXBVBKBFE-UHFFFAOYSA-N
XLogP3.38
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.41
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 5-[(4-fluorobenzoyl)amino]pyrazolo[1,5-a]pyridine-3-carboxylate
CID 90556567
ethyl 5-[(2-chloroacetyl)amino]pyrazolo[1,5-a]pyridine-3-carboxylate
CID 90556540
ethyl 5-(3,3-diphenylpropanoylamino)pyrazolo[1,5-a]pyridine-3-carboxylate
CID 90556619
ethyl 5-[(2-phenoxyacetyl)amino]pyrazolo[1,5-a]pyridine-3-carboxylate
CID 90556593
ethyl 5-[[2-(4-ethoxyphenyl)acetyl]amino]pyrazolo[1,5-a]pyridine-3-carboxylate
CID 90556610
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-[(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-[(3-methoxyphenyl)carbamoylamino]pyrazolo[1,5-a]pyridine-3-carboxylate
CID 90556693
ethyl 5-[(3,5-difluorophenyl)sulfonylamino]pyrazolo[1,5-a]pyridine-3-carboxylate
CID 90556795
ethyl 5-(1,2-oxazole-5-carbonylamino)pyrazolo[1,5-a]pyridine-3-carboxylate
CID 90556491

Frequently Asked Questions

What is the IUPAC name of ethyl 5-[[2-(4-fluorophenyl)sulfanylacetyl]amino]pyrazolo[1,5-a]pyridine-3-carboxylate?
The IUPAC name of ethyl 5-[[2-(4-fluorophenyl)sulfanylacetyl]amino]pyrazolo[1,5-a]pyridine-3-carboxylate (CID 90556650) is ethyl 5-[[2-(4-fluorophenyl)sulfanylacetyl]amino]pyrazolo[1,5-a]pyridine-3-carboxylate.
What is the SMILES notation for ethyl 5-[[2-(4-fluorophenyl)sulfanylacetyl]amino]pyrazolo[1,5-a]pyridine-3-carboxylate?
The canonical SMILES for ethyl 5-[[2-(4-fluorophenyl)sulfanylacetyl]amino]pyrazolo[1,5-a]pyridine-3-carboxylate is CCOC(=O)c1cnn2ccc(NC(=O)CSc3ccc(F)cc3)cc12.
What is the InChIKey of ethyl 5-[[2-(4-fluorophenyl)sulfanylacetyl]amino]pyrazolo[1,5-a]pyridine-3-carboxylate?
The InChIKey is YMXFSTXBVBKBFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16FN3O3S/c1-2-25-18(24)15-10-20-22-8-7-13(9-16(15)22)21-17(23)11-26-14-5-3-12(19)4-6-14/h3-10H,2,11H2,1H3,(H,21,23).
What are the key properties of ethyl 5-[[2-(4-fluorophenyl)sulfanylacetyl]amino]pyrazolo[1,5-a]pyridine-3-carboxylate?
ethyl 5-[[2-(4-fluorophenyl)sulfanylacetyl]amino]pyrazolo[1,5-a]pyridine-3-carboxylate has a molecular weight of 373.41 g/mol, XLogP of 3.38, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-[[2-(4-fluorophenyl)sulfanylacetyl]amino]pyrazolo[1,5-a]pyridine-3-carboxylate is sourced from PubChem (CID 90556650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).