ethyl 7-[4-(2-methoxyphenyl)piperazin-1-yl]thieno[3,2-b]pyridine-6-carboxylate

C21H23N3O3S — CID 162661401

IUPACethyl 7-[4-(2-methoxyphenyl)piperazin-1-yl]thieno[3,2-b]pyridine-6-carboxylate
SMILESCCOC(=O)c1cnc2ccsc2c1N1CCN(c2ccccc2OC)CC1
InChIInChI=1S/C21H23N3O3S/c1-3-27-21(25)15-14-22-16-8-13-28-20(16)19(15)24-11-9-23(10-12-24)17-6-4-5-7-18(17)26-2/h4-8,13-14H,3,9-12H2,1-2H3
InChIKeyGSEUXAKOLZSFPR-UHFFFAOYSA-N
MW397.50 g/mol
LogP3.81
Rot. Bonds5

About ethyl 7-[4-(2-methoxyphenyl)piperazin-1-yl]thieno[3,2-b]pyridine-6-carboxylate

ethyl 7-[4-(2-methoxyphenyl)piperazin-1-yl]thieno[3,2-b]pyridine-6-carboxylate (PubChem CID 162661401) has the molecular formula C21H23N3O3S and a molecular weight of 397.50 g/mol. Its IUPAC name is ethyl 7-[4-(2-methoxyphenyl)piperazin-1-yl]thieno[3,2-b]pyridine-6-carboxylate.

Molecular Properties

Compound Nameethyl 7-[4-(2-methoxyphenyl)piperazin-1-yl]thieno[3,2-b]pyridine-6-carboxylate
PubChem CID162661401
Molecular FormulaC21H23N3O3S
Molecular Weight397.50 g/mol
Exact Mass397.15
IUPAC Nameethyl 7-[4-(2-methoxyphenyl)piperazin-1-yl]thieno[3,2-b]pyridine-6-carboxylate
SMILESCCOC(=O)c1cnc2ccsc2c1N1CCN(c2ccccc2OC)CC1
InChIInChI=1S/C21H23N3O3S/c1-3-27-21(25)15-14-22-16-8-13-28-20(16)19(15)24-11-9-23(10-12-24)17-6-4-5-7-18(17)26-2/h4-8,13-14H,3,9-12H2,1-2H3
InChIKeyGSEUXAKOLZSFPR-UHFFFAOYSA-N
XLogP3.81
TPSA54.90 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.50
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze ethyl 7-[4-(2-methoxyphenyl)piperazin-1-yl]thieno[3,2-b]pyridine-6-carboxylate with MolForge

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Related Compounds

ethyl 4-[4-(2-ethoxyphenyl)piperazin-1-yl]-8-methoxyquinoline-3-carboxylate
CID 162649213
ethyl 8-methoxy-4-[4-(2-methylphenyl)piperazin-1-yl]quinoline-3-carboxylate
CID 162647102
ethyl 4-thiomorpholin-4-ylquinoline-3-carboxylate
CID 52805665
ethyl 4-[4-[1-(1,3-thiazol-2-yl)ethyl]piperazin-1-yl]quinoline-3-carboxylate
CID 133476406
ethyl 2-[4-(2-ethoxyphenyl)piperazin-1-yl]-4-methylpyrimidine-5-carboxylate
CID 75400034
ethyl 4-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoacetyl]piperazine-1-carboxylate
CID 108530741
ethyl 4-piperazin-1-ylquinoline-3-carboxylate
CID 13295826
ethyl 4-(4-pyridin-4-ylpiperazin-1-yl)quinoline-3-carboxylate
CID 133277711
ethyl 8-methoxy-4-[1-(2-methoxyphenyl)-3,6-dihydro-2H-pyridin-4-yl]quinoline-3-carboxylate
CID 162669788
ethyl 2-[4-(2-methoxyphenyl)piperazin-1-yl]-4-phenyl-1,3-thiazole-5-carboxylate
CID 68909460
ethyl 1-(2-methoxyphenyl)-6-oxo-2-phenylpyrimidine-5-carboxylate
CID 118006121
[6-fluoro-4-[4-(2-methoxyphenyl)piperazin-1-yl]quinolin-3-yl]-(4-methoxyphenyl)methanone
CID 20882587

Frequently Asked Questions

What is the IUPAC name of ethyl 7-[4-(2-methoxyphenyl)piperazin-1-yl]thieno[3,2-b]pyridine-6-carboxylate?
The IUPAC name of ethyl 7-[4-(2-methoxyphenyl)piperazin-1-yl]thieno[3,2-b]pyridine-6-carboxylate (CID 162661401) is ethyl 7-[4-(2-methoxyphenyl)piperazin-1-yl]thieno[3,2-b]pyridine-6-carboxylate.
What is the SMILES notation for ethyl 7-[4-(2-methoxyphenyl)piperazin-1-yl]thieno[3,2-b]pyridine-6-carboxylate?
The canonical SMILES for ethyl 7-[4-(2-methoxyphenyl)piperazin-1-yl]thieno[3,2-b]pyridine-6-carboxylate is CCOC(=O)c1cnc2ccsc2c1N1CCN(c2ccccc2OC)CC1.
What is the InChIKey of ethyl 7-[4-(2-methoxyphenyl)piperazin-1-yl]thieno[3,2-b]pyridine-6-carboxylate?
The InChIKey is GSEUXAKOLZSFPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O3S/c1-3-27-21(25)15-14-22-16-8-13-28-20(16)19(15)24-11-9-23(10-12-24)17-6-4-5-7-18(17)26-2/h4-8,13-14H,3,9-12H2,1-2H3.
What are the key properties of ethyl 7-[4-(2-methoxyphenyl)piperazin-1-yl]thieno[3,2-b]pyridine-6-carboxylate?
ethyl 7-[4-(2-methoxyphenyl)piperazin-1-yl]thieno[3,2-b]pyridine-6-carboxylate has a molecular weight of 397.50 g/mol, XLogP of 3.81, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 7-[4-(2-methoxyphenyl)piperazin-1-yl]thieno[3,2-b]pyridine-6-carboxylate is sourced from PubChem (CID 162661401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).