ethyl 2-[2-(4-chlorophenyl)-2-oxoethyl]sulfanylpyrazolo[1,5-a]pyridine-3-carboxylate

C18H15ClN2O3S — CID 14892016

IUPACethyl 2-[2-(4-chlorophenyl)-2-oxoethyl]sulfanylpyrazolo[1,5-a]pyridine-3-carboxylate
SMILESCCOC(=O)c1c(SCC(=O)c2ccc(Cl)cc2)nn2ccccc12
InChIInChI=1S/C18H15ClN2O3S/c1-2-24-18(23)16-14-5-3-4-10-21(14)20-17(16)25-11-15(22)12-6-8-13(19)9-7-12/h3-10H,2,11H2,1H3
InChIKeyFJTJUJPEAFHESF-UHFFFAOYSA-N
MW374.85 g/mol
LogP4.14
Rot. Bonds6

About ethyl 2-[2-(4-chlorophenyl)-2-oxoethyl]sulfanylpyrazolo[1,5-a]pyridine-3-carboxylate

ethyl 2-[2-(4-chlorophenyl)-2-oxoethyl]sulfanylpyrazolo[1,5-a]pyridine-3-carboxylate (PubChem CID 14892016) has the molecular formula C18H15ClN2O3S and a molecular weight of 374.85 g/mol. Its IUPAC name is ethyl 2-[2-(4-chlorophenyl)-2-oxoethyl]sulfanylpyrazolo[1,5-a]pyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 2-[2-(4-chlorophenyl)-2-oxoethyl]sulfanylpyrazolo[1,5-a]pyridine-3-carboxylate
PubChem CID14892016
Molecular FormulaC18H15ClN2O3S
Molecular Weight374.85 g/mol
Exact Mass374.05
IUPAC Nameethyl 2-[2-(4-chlorophenyl)-2-oxoethyl]sulfanylpyrazolo[1,5-a]pyridine-3-carboxylate
SMILESCCOC(=O)c1c(SCC(=O)c2ccc(Cl)cc2)nn2ccccc12
InChIInChI=1S/C18H15ClN2O3S/c1-2-24-18(23)16-14-5-3-4-10-21(14)20-17(16)25-11-15(22)12-6-8-13(19)9-7-12/h3-10H,2,11H2,1H3
InChIKeyFJTJUJPEAFHESF-UHFFFAOYSA-N
XLogP4.14
TPSA60.67 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.85
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

diethyl pyrazolo[1,5-a]pyridine-2,3-dicarboxylate
CID 53487001
diethyl 2-(2-oxopropylsulfanyl)indolizine-1,3-dicarboxylate
CID 14708951
ethyl 2-(4-methoxyphenyl)pyrazolo[1,5-a]pyridine-3-carboxylate
CID 144559581
1-(4-chlorophenyl)-2-[(5-methyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]ethanone
CID 853334
ethyl 2-[2-(4-chlorophenyl)-2-oxoethyl]sulfanylacetate
CID 14923350
1-(4-chlorophenyl)-2-(2-methylphenyl)sulfanylethanone
CID 51889916
ethyl triazolo[1,5-a]pyridine-3-carboxylate
CID 13111408
ethyl 2-[(2S,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrazolo[1,5-a]pyridine-3-carboxylate
CID 102427718
diethyl 7-methyl-2-phenacylsulfanylindolizine-1,3-dicarboxylate
CID 14708955
ethyl [[2-(4-chlorophenyl)-2-oxoethyl]disulfanyl]formate
CID 10827391
ethyl 2-[3-(4-chlorobenzoyl)-5,7-dimethylpyrazolo[1,5-a]pyridin-2-yl]sulfanylacetate
CID 134909410
ethyl 2-(4-chlorophenyl)-3-formylindolizine-1-carboxylate
CID 3706589

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-(4-chlorophenyl)-2-oxoethyl]sulfanylpyrazolo[1,5-a]pyridine-3-carboxylate?
The IUPAC name of ethyl 2-[2-(4-chlorophenyl)-2-oxoethyl]sulfanylpyrazolo[1,5-a]pyridine-3-carboxylate (CID 14892016) is ethyl 2-[2-(4-chlorophenyl)-2-oxoethyl]sulfanylpyrazolo[1,5-a]pyridine-3-carboxylate.
What is the SMILES notation for ethyl 2-[2-(4-chlorophenyl)-2-oxoethyl]sulfanylpyrazolo[1,5-a]pyridine-3-carboxylate?
The canonical SMILES for ethyl 2-[2-(4-chlorophenyl)-2-oxoethyl]sulfanylpyrazolo[1,5-a]pyridine-3-carboxylate is CCOC(=O)c1c(SCC(=O)c2ccc(Cl)cc2)nn2ccccc12.
What is the InChIKey of ethyl 2-[2-(4-chlorophenyl)-2-oxoethyl]sulfanylpyrazolo[1,5-a]pyridine-3-carboxylate?
The InChIKey is FJTJUJPEAFHESF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClN2O3S/c1-2-24-18(23)16-14-5-3-4-10-21(14)20-17(16)25-11-15(22)12-6-8-13(19)9-7-12/h3-10H,2,11H2,1H3.
What are the key properties of ethyl 2-[2-(4-chlorophenyl)-2-oxoethyl]sulfanylpyrazolo[1,5-a]pyridine-3-carboxylate?
ethyl 2-[2-(4-chlorophenyl)-2-oxoethyl]sulfanylpyrazolo[1,5-a]pyridine-3-carboxylate has a molecular weight of 374.85 g/mol, XLogP of 4.14, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-(4-chlorophenyl)-2-oxoethyl]sulfanylpyrazolo[1,5-a]pyridine-3-carboxylate is sourced from PubChem (CID 14892016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).