ethyl 5-cyano-2-methylsulfanylpyrazolo[1,5-a]pyridine-3-carboxylate

C12H11N3O2S — CID 14268754

IUPACethyl 5-cyano-2-methylsulfanylpyrazolo[1,5-a]pyridine-3-carboxylate
SMILESCCOC(=O)c1c(SC)nn2ccc(C#N)cc12
InChIInChI=1S/C12H11N3O2S/c1-3-17-12(16)10-9-6-8(7-13)4-5-15(9)14-11(10)18-2/h4-6H,3H2,1-2H3
InChIKeyFAEAGVLPKDXFBJ-UHFFFAOYSA-N
MW261.31 g/mol
LogP2.10
Rot. Bonds3

About ethyl 5-cyano-2-methylsulfanylpyrazolo[1,5-a]pyridine-3-carboxylate

ethyl 5-cyano-2-methylsulfanylpyrazolo[1,5-a]pyridine-3-carboxylate (PubChem CID 14268754) has the molecular formula C12H11N3O2S and a molecular weight of 261.31 g/mol. Its IUPAC name is ethyl 5-cyano-2-methylsulfanylpyrazolo[1,5-a]pyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 5-cyano-2-methylsulfanylpyrazolo[1,5-a]pyridine-3-carboxylate
PubChem CID14268754
Molecular FormulaC12H11N3O2S
Molecular Weight261.31 g/mol
Exact Mass261.06
IUPAC Nameethyl 5-cyano-2-methylsulfanylpyrazolo[1,5-a]pyridine-3-carboxylate
SMILESCCOC(=O)c1c(SC)nn2ccc(C#N)cc12
InChIInChI=1S/C12H11N3O2S/c1-3-17-12(16)10-9-6-8(7-13)4-5-15(9)14-11(10)18-2/h4-6H,3H2,1-2H3
InChIKeyFAEAGVLPKDXFBJ-UHFFFAOYSA-N
XLogP2.10
TPSA67.39 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.31
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 5-methyl-2-methylsulfanylpyrazolo[1,5-a]pyrimidine-3-carboxylate
CID 101384710
ethyl 2,5-dimethylpyrazolo[1,5-a]pyridine-3-carboxylate
CID 68503367
ethyl 4-cyano-2,6-dimethylbenzoate
CID 134614514
ethyl 4-cyano-2,6-diethylbenzoate
CID 134614516
ethyl 5-cyano-6-methylsulfanylpyridine-3-carboxylate
CID 54004334
ethyl 2-cyano-5-oxo-4H-pyrazolo[1,5-a]pyrimidine-3-carboxylate
CID 167282931
dimethyl 3-cyano-7-[3-cyano-1,2-bis(ethoxycarbonyl)indolizin-7-yl]indolizine-1,2-dicarboxylate
CID 102391608
ethyl 5-cyano-2-methoxybenzoate
CID 117275313
diethyl pyrazolo[1,5-a]pyridine-2,3-dicarboxylate
CID 53487001
ethyl 3-cyano-6-methyl-2-methylsulfanylpyridine-4-carboxylate
CID 2726217
ethyl 4-cyano-2-ethyl-6-methylbenzoate
CID 134614454
ethyl 4-(azanylidyne(113C)methyl)benzoate
CID 10442221

Frequently Asked Questions

What is the IUPAC name of ethyl 5-cyano-2-methylsulfanylpyrazolo[1,5-a]pyridine-3-carboxylate?
The IUPAC name of ethyl 5-cyano-2-methylsulfanylpyrazolo[1,5-a]pyridine-3-carboxylate (CID 14268754) is ethyl 5-cyano-2-methylsulfanylpyrazolo[1,5-a]pyridine-3-carboxylate.
What is the SMILES notation for ethyl 5-cyano-2-methylsulfanylpyrazolo[1,5-a]pyridine-3-carboxylate?
The canonical SMILES for ethyl 5-cyano-2-methylsulfanylpyrazolo[1,5-a]pyridine-3-carboxylate is CCOC(=O)c1c(SC)nn2ccc(C#N)cc12.
What is the InChIKey of ethyl 5-cyano-2-methylsulfanylpyrazolo[1,5-a]pyridine-3-carboxylate?
The InChIKey is FAEAGVLPKDXFBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N3O2S/c1-3-17-12(16)10-9-6-8(7-13)4-5-15(9)14-11(10)18-2/h4-6H,3H2,1-2H3.
What are the key properties of ethyl 5-cyano-2-methylsulfanylpyrazolo[1,5-a]pyridine-3-carboxylate?
ethyl 5-cyano-2-methylsulfanylpyrazolo[1,5-a]pyridine-3-carboxylate has a molecular weight of 261.31 g/mol, XLogP of 2.10, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-cyano-2-methylsulfanylpyrazolo[1,5-a]pyridine-3-carboxylate is sourced from PubChem (CID 14268754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).