ethyl 2-(3-cyano-5,7-dimethylpyrazolo[1,5-a]pyridin-2-yl)sulfanylacetate

C14H15N3O2S — CID 134909520

IUPACethyl 2-(3-cyano-5,7-dimethylpyrazolo[1,5-a]pyridin-2-yl)sulfanylacetate
SMILESCCOC(=O)CSc1nn2c(C)cc(C)cc2c1C#N
InChIInChI=1S/C14H15N3O2S/c1-4-19-13(18)8-20-14-11(7-15)12-6-9(2)5-10(3)17(12)16-14/h5-6H,4,8H2,1-3H3
InChIKeyOZEHBGPOBUQIFN-UHFFFAOYSA-N
MW289.36 g/mol
LogP2.48
Rot. Bonds4

About ethyl 2-(3-cyano-5,7-dimethylpyrazolo[1,5-a]pyridin-2-yl)sulfanylacetate

ethyl 2-(3-cyano-5,7-dimethylpyrazolo[1,5-a]pyridin-2-yl)sulfanylacetate (PubChem CID 134909520) has the molecular formula C14H15N3O2S and a molecular weight of 289.36 g/mol. Its IUPAC name is ethyl 2-(3-cyano-5,7-dimethylpyrazolo[1,5-a]pyridin-2-yl)sulfanylacetate.

Molecular Properties

Compound Nameethyl 2-(3-cyano-5,7-dimethylpyrazolo[1,5-a]pyridin-2-yl)sulfanylacetate
PubChem CID134909520
Molecular FormulaC14H15N3O2S
Molecular Weight289.36 g/mol
Exact Mass289.09
IUPAC Nameethyl 2-(3-cyano-5,7-dimethylpyrazolo[1,5-a]pyridin-2-yl)sulfanylacetate
SMILESCCOC(=O)CSc1nn2c(C)cc(C)cc2c1C#N
InChIInChI=1S/C14H15N3O2S/c1-4-19-13(18)8-20-14-11(7-15)12-6-9(2)5-10(3)17(12)16-14/h5-6H,4,8H2,1-3H3
InChIKeyOZEHBGPOBUQIFN-UHFFFAOYSA-N
XLogP2.48
TPSA67.39 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.36
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(3-cyano-5,7-dimethylpyrazolo[1,5-a]pyridin-2-yl)sulfanylacetate?
The IUPAC name of ethyl 2-(3-cyano-5,7-dimethylpyrazolo[1,5-a]pyridin-2-yl)sulfanylacetate (CID 134909520) is ethyl 2-(3-cyano-5,7-dimethylpyrazolo[1,5-a]pyridin-2-yl)sulfanylacetate.
What is the SMILES notation for ethyl 2-(3-cyano-5,7-dimethylpyrazolo[1,5-a]pyridin-2-yl)sulfanylacetate?
The canonical SMILES for ethyl 2-(3-cyano-5,7-dimethylpyrazolo[1,5-a]pyridin-2-yl)sulfanylacetate is CCOC(=O)CSc1nn2c(C)cc(C)cc2c1C#N.
What is the InChIKey of ethyl 2-(3-cyano-5,7-dimethylpyrazolo[1,5-a]pyridin-2-yl)sulfanylacetate?
The InChIKey is OZEHBGPOBUQIFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O2S/c1-4-19-13(18)8-20-14-11(7-15)12-6-9(2)5-10(3)17(12)16-14/h5-6H,4,8H2,1-3H3.
What are the key properties of ethyl 2-(3-cyano-5,7-dimethylpyrazolo[1,5-a]pyridin-2-yl)sulfanylacetate?
ethyl 2-(3-cyano-5,7-dimethylpyrazolo[1,5-a]pyridin-2-yl)sulfanylacetate has a molecular weight of 289.36 g/mol, XLogP of 2.48, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(3-cyano-5,7-dimethylpyrazolo[1,5-a]pyridin-2-yl)sulfanylacetate is sourced from PubChem (CID 134909520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).