ethyl 6-benzylsulfanylpyrazolo[1,5-a]pyridine-3-carboxylate

C17H16N2O2S — CID 178051526

IUPACethyl 6-benzylsulfanylpyrazolo[1,5-a]pyridine-3-carboxylate
SMILESCCOC(=O)c1cnn2cc(SCc3ccccc3)ccc12
InChIInChI=1S/C17H16N2O2S/c1-2-21-17(20)15-10-18-19-11-14(8-9-16(15)19)22-12-13-6-4-3-5-7-13/h3-11H,2,12H2,1H3
InChIKeyXRPJNNOUZHHQAD-UHFFFAOYSA-N
MW312.39 g/mol
LogP3.80
Rot. Bonds5

About ethyl 6-benzylsulfanylpyrazolo[1,5-a]pyridine-3-carboxylate

ethyl 6-benzylsulfanylpyrazolo[1,5-a]pyridine-3-carboxylate (PubChem CID 178051526) has the molecular formula C17H16N2O2S and a molecular weight of 312.39 g/mol. Its IUPAC name is ethyl 6-benzylsulfanylpyrazolo[1,5-a]pyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 6-benzylsulfanylpyrazolo[1,5-a]pyridine-3-carboxylate
PubChem CID178051526
Molecular FormulaC17H16N2O2S
Molecular Weight312.39 g/mol
Exact Mass312.09
IUPAC Nameethyl 6-benzylsulfanylpyrazolo[1,5-a]pyridine-3-carboxylate
SMILESCCOC(=O)c1cnn2cc(SCc3ccccc3)ccc12
InChIInChI=1S/C17H16N2O2S/c1-2-21-17(20)15-10-18-19-11-14(8-9-16(15)19)22-12-13-6-4-3-5-7-13/h3-11H,2,12H2,1H3
InChIKeyXRPJNNOUZHHQAD-UHFFFAOYSA-N
XLogP3.80
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.39
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3-ethoxycarbonylpyrazolo[1,5-a]pyridin-6-yl)oxyacetic acid
CID 118661383
ethyl propanoate;ethyl pyrazolo[1,5-a]pyridine-3-carboxylate
CID 161412024
ethyl 5-amino-1-benzylpyrazole-4-carboxylate
CID 785810
ethyl 5-(hydroxymethyl)pyrazolo[1,5-a]pyridine-3-carboxylate
CID 71464261
ethyl 5-[(4-hydroxyphenyl)sulfanylmethyl]-1-methylpyrazole-4-carboxylate
CID 116629973
(4-benzylsulfanylphenyl)methyl 5-ethyl-1-pyridin-2-ylpyrazole-4-carboxylate
CID 166336013
ethyl 6-[4-(hydroxymethyl)-1,3-thiazol-2-yl]pyrazolo[1,5-a]pyridine-3-carboxylate
CID 178051304
ethyl 6-bromo-5-chloropyrazolo[1,5-a]pyridine-3-carboxylate
CID 169163079
ethyl 2-benzylsulfanyl-6-oxo-1-(2-oxo-2-pyrrolidin-1-ylethyl)pyrimidine-5-carboxylate
CID 7748721
ethyl 5-(2-amino-4,6-dimethylpyrimidin-5-yl)pyrazolo[1,5-a]pyridine-3-carboxylate
CID 176643568
ethyl 1-benzyl-5-propan-2-ylpyrazole-4-carboxylate
CID 60768852
ethyl 5-(3,3-diphenylpropanoylamino)pyrazolo[1,5-a]pyridine-3-carboxylate
CID 90556619

Frequently Asked Questions

What is the IUPAC name of ethyl 6-benzylsulfanylpyrazolo[1,5-a]pyridine-3-carboxylate?
The IUPAC name of ethyl 6-benzylsulfanylpyrazolo[1,5-a]pyridine-3-carboxylate (CID 178051526) is ethyl 6-benzylsulfanylpyrazolo[1,5-a]pyridine-3-carboxylate.
What is the SMILES notation for ethyl 6-benzylsulfanylpyrazolo[1,5-a]pyridine-3-carboxylate?
The canonical SMILES for ethyl 6-benzylsulfanylpyrazolo[1,5-a]pyridine-3-carboxylate is CCOC(=O)c1cnn2cc(SCc3ccccc3)ccc12.
What is the InChIKey of ethyl 6-benzylsulfanylpyrazolo[1,5-a]pyridine-3-carboxylate?
The InChIKey is XRPJNNOUZHHQAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O2S/c1-2-21-17(20)15-10-18-19-11-14(8-9-16(15)19)22-12-13-6-4-3-5-7-13/h3-11H,2,12H2,1H3.
What are the key properties of ethyl 6-benzylsulfanylpyrazolo[1,5-a]pyridine-3-carboxylate?
ethyl 6-benzylsulfanylpyrazolo[1,5-a]pyridine-3-carboxylate has a molecular weight of 312.39 g/mol, XLogP of 3.80, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-benzylsulfanylpyrazolo[1,5-a]pyridine-3-carboxylate is sourced from PubChem (CID 178051526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).