7-(4-ethylpiperazin-1-yl)-5-[6-(2-methoxyethoxy)-3-pyridinyl]thieno[2,3-c]pyridine;hydrochloride

C21H27ClN4O2S — CID 22503644

IUPAC7-(4-ethylpiperazin-1-yl)-5-[6-(2-methoxyethoxy)-3-pyridinyl]thieno[2,3-c]pyridine;hydrochloride
SMILESCCN1CCN(c2nc(-c3ccc(OCCOC)nc3)cc3ccsc23)CC1.Cl
InChIInChI=1S/C21H26N4O2S.ClH/c1-3-24-7-9-25(10-8-24)21-20-16(6-13-28-20)14-18(23-21)17-4-5-19(22-15-17)27-12-11-26-2;/h4-6,13-15H,3,7-12H2,1-2H3;1H
InChIKeyYAOJSGHIBUJNBP-UHFFFAOYSA-N
MW434.99 g/mol
LogP3.95
Rot. Bonds7

About 7-(4-ethylpiperazin-1-yl)-5-[6-(2-methoxyethoxy)-3-pyridinyl]thieno[2,3-c]pyridine;hydrochloride

7-(4-ethylpiperazin-1-yl)-5-[6-(2-methoxyethoxy)-3-pyridinyl]thieno[2,3-c]pyridine;hydrochloride (PubChem CID 22503644) has the molecular formula C21H27ClN4O2S and a molecular weight of 434.99 g/mol. Its IUPAC name is 7-(4-ethylpiperazin-1-yl)-5-[6-(2-methoxyethoxy)-3-pyridinyl]thieno[2,3-c]pyridine;hydrochloride.

Molecular Properties

Compound Name7-(4-ethylpiperazin-1-yl)-5-[6-(2-methoxyethoxy)-3-pyridinyl]thieno[2,3-c]pyridine;hydrochloride
PubChem CID22503644
Molecular FormulaC21H27ClN4O2S
Molecular Weight434.99 g/mol
Exact Mass434.15
IUPAC Name7-(4-ethylpiperazin-1-yl)-5-[6-(2-methoxyethoxy)-3-pyridinyl]thieno[2,3-c]pyridine;hydrochloride
SMILESCCN1CCN(c2nc(-c3ccc(OCCOC)nc3)cc3ccsc23)CC1.Cl
InChIInChI=1S/C21H26N4O2S.ClH/c1-3-24-7-9-25(10-8-24)21-20-16(6-13-28-20)14-18(23-21)17-4-5-19(22-15-17)27-12-11-26-2;/h4-6,13-15H,3,7-12H2,1-2H3;1H
InChIKeyYAOJSGHIBUJNBP-UHFFFAOYSA-N
XLogP3.95
TPSA50.72 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.99
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7-(4-ethylpiperazin-1-yl)-5-[6-(2-methoxyethoxy)-3-pyridinyl]thieno[2,3-c]pyridine;hydrochloride?
The IUPAC name of 7-(4-ethylpiperazin-1-yl)-5-[6-(2-methoxyethoxy)-3-pyridinyl]thieno[2,3-c]pyridine;hydrochloride (CID 22503644) is 7-(4-ethylpiperazin-1-yl)-5-[6-(2-methoxyethoxy)-3-pyridinyl]thieno[2,3-c]pyridine;hydrochloride.
What is the SMILES notation for 7-(4-ethylpiperazin-1-yl)-5-[6-(2-methoxyethoxy)-3-pyridinyl]thieno[2,3-c]pyridine;hydrochloride?
The canonical SMILES for 7-(4-ethylpiperazin-1-yl)-5-[6-(2-methoxyethoxy)-3-pyridinyl]thieno[2,3-c]pyridine;hydrochloride is CCN1CCN(c2nc(-c3ccc(OCCOC)nc3)cc3ccsc23)CC1.Cl.
What is the InChIKey of 7-(4-ethylpiperazin-1-yl)-5-[6-(2-methoxyethoxy)-3-pyridinyl]thieno[2,3-c]pyridine;hydrochloride?
The InChIKey is YAOJSGHIBUJNBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O2S.ClH/c1-3-24-7-9-25(10-8-24)21-20-16(6-13-28-20)14-18(23-21)17-4-5-19(22-15-17)27-12-11-26-2;/h4-6,13-15H,3,7-12H2,1-2H3;1H.
What are the key properties of 7-(4-ethylpiperazin-1-yl)-5-[6-(2-methoxyethoxy)-3-pyridinyl]thieno[2,3-c]pyridine;hydrochloride?
7-(4-ethylpiperazin-1-yl)-5-[6-(2-methoxyethoxy)-3-pyridinyl]thieno[2,3-c]pyridine;hydrochloride has a molecular weight of 434.99 g/mol, XLogP of 3.95, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-ethylpiperazin-1-yl)-5-[6-(2-methoxyethoxy)-3-pyridinyl]thieno[2,3-c]pyridine;hydrochloride is sourced from PubChem (CID 22503644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).