ethyl 4-ethoxy-2-pyridin-4-ylthieno[2,3-b]pyridine-5-carboxylate

C17H16N2O3S — CID 15033192

IUPACethyl 4-ethoxy-2-pyridin-4-ylthieno[2,3-b]pyridine-5-carboxylate
SMILESCCOC(=O)c1cnc2sc(-c3ccncc3)cc2c1OCC
InChIInChI=1S/C17H16N2O3S/c1-3-21-15-12-9-14(11-5-7-18-8-6-11)23-16(12)19-10-13(15)17(20)22-4-2/h5-10H,3-4H2,1-2H3
InChIKeyCFNLYABUQYYXNC-UHFFFAOYSA-N
MW328.39 g/mol
LogP3.93
Rot. Bonds5

About ethyl 4-ethoxy-2-pyridin-4-ylthieno[2,3-b]pyridine-5-carboxylate

ethyl 4-ethoxy-2-pyridin-4-ylthieno[2,3-b]pyridine-5-carboxylate (PubChem CID 15033192) has the molecular formula C17H16N2O3S and a molecular weight of 328.39 g/mol. Its IUPAC name is ethyl 4-ethoxy-2-pyridin-4-ylthieno[2,3-b]pyridine-5-carboxylate.

Molecular Properties

Compound Nameethyl 4-ethoxy-2-pyridin-4-ylthieno[2,3-b]pyridine-5-carboxylate
PubChem CID15033192
Molecular FormulaC17H16N2O3S
Molecular Weight328.39 g/mol
Exact Mass328.09
IUPAC Nameethyl 4-ethoxy-2-pyridin-4-ylthieno[2,3-b]pyridine-5-carboxylate
SMILESCCOC(=O)c1cnc2sc(-c3ccncc3)cc2c1OCC
InChIInChI=1S/C17H16N2O3S/c1-3-21-15-12-9-14(11-5-7-18-8-6-11)23-16(12)19-10-13(15)17(20)22-4-2/h5-10H,3-4H2,1-2H3
InChIKeyCFNLYABUQYYXNC-UHFFFAOYSA-N
XLogP3.93
TPSA61.31 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.39
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3-(Carboxymethoxy)thieno[2,3-b]pyridine-2-carboxylic acid
CID 5327045
Methyl 3-(2-ethoxy-2-oxoethoxy)thieno[2,3-b]pyridine-2-carboxylate
CID 1478603
Methyl 3-hydroxythieno(2,3-b)pyridine-2-carboxylate
CID 2727696
Methyl 3-[(2,4-dichlorobenzyl)oxy]thieno[2,3-b]pyridine-2-carboxylate
CID 1475828
Methyl 3-[(2,6-dichlorobenzyl)oxy]thieno[2,3-b]pyridine-2-carboxylate
CID 1475833
Ethyl 5-(2-hydroxy-5-methoxybenzoyl)-3-methylthieno[2,3-b]pyridine-2-carboxylate
CID 2421275
Methyl 3-(2-ethoxy-1-methyl-2-oxoethoxy)thieno[2,3-b]pyridine-2-carboxylate
CID 3785155
Methyl 3-[(2-chlorophenyl)methoxy]thieno[2,3-b]pyridine-2-carboxylate
CID 1475830
Methyl 3-[(3-chlorophenyl)methoxy]thieno[2,3-b]pyridine-2-carboxylate
CID 1475831
Methyl 3-[(4-chlorobenzyl)oxy]thieno[2,3-b]pyridine-2-carboxylate
CID 1475832
[2-(1-Benzofuran-2-yl)-2-oxoethyl] 2-methylsulfanylpyridine-3-carboxylate
CID 2336404
Ethyl 5-(2-hydroxybenzoyl)-3-methylthieno[2,3-b]pyridine-2-carboxylate
CID 2456142

Frequently Asked Questions

What is the IUPAC name of ethyl 4-ethoxy-2-pyridin-4-ylthieno[2,3-b]pyridine-5-carboxylate?
The IUPAC name of ethyl 4-ethoxy-2-pyridin-4-ylthieno[2,3-b]pyridine-5-carboxylate (CID 15033192) is ethyl 4-ethoxy-2-pyridin-4-ylthieno[2,3-b]pyridine-5-carboxylate.
What is the SMILES notation for ethyl 4-ethoxy-2-pyridin-4-ylthieno[2,3-b]pyridine-5-carboxylate?
The canonical SMILES for ethyl 4-ethoxy-2-pyridin-4-ylthieno[2,3-b]pyridine-5-carboxylate is CCOC(=O)c1cnc2sc(-c3ccncc3)cc2c1OCC.
What is the InChIKey of ethyl 4-ethoxy-2-pyridin-4-ylthieno[2,3-b]pyridine-5-carboxylate?
The InChIKey is CFNLYABUQYYXNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O3S/c1-3-21-15-12-9-14(11-5-7-18-8-6-11)23-16(12)19-10-13(15)17(20)22-4-2/h5-10H,3-4H2,1-2H3.
What are the key properties of ethyl 4-ethoxy-2-pyridin-4-ylthieno[2,3-b]pyridine-5-carboxylate?
ethyl 4-ethoxy-2-pyridin-4-ylthieno[2,3-b]pyridine-5-carboxylate has a molecular weight of 328.39 g/mol, XLogP of 3.93, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-ethoxy-2-pyridin-4-ylthieno[2,3-b]pyridine-5-carboxylate is sourced from PubChem (CID 15033192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).