4-[5-[7-(4-ethylpiperazin-1-yl)thieno[2,3-c]pyridin-5-yl]-2-pyridinyl]morpholine;hydrochloride

C22H28ClN5OS — CID 22502727

IUPAC4-[5-[7-(4-ethylpiperazin-1-yl)thieno[2,3-c]pyridin-5-yl]-2-pyridinyl]morpholine;hydrochloride
SMILESCCN1CCN(c2nc(-c3ccc(N4CCOCC4)nc3)cc3ccsc23)CC1.Cl
InChIInChI=1S/C22H27N5OS.ClH/c1-2-25-6-8-27(9-7-25)22-21-17(5-14-29-21)15-19(24-22)18-3-4-20(23-16-18)26-10-12-28-13-11-26;/h3-5,14-16H,2,6-13H2,1H3;1H
InChIKeyDGTGIQGSKYHPQT-UHFFFAOYSA-N
MW446.02 g/mol
LogP3.76
Rot. Bonds4

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

4-[5-[7-(4-ethylpiperazin-1-yl)thieno[2,3-c]pyridin-5-yl]-2-pyridinyl]morpholine;hydrochloride (PubChem CID 22502727) has the molecular formula C22H28ClN5OS and a molecular weight of 446.02 g/mol. Its IUPAC name is 4-[5-[7-(4-ethylpiperazin-1-yl)thieno[2,3-c]pyridin-5-yl]-2-pyridinyl]morpholine;hydrochloride.

Molecular Properties

Compound Name4-[5-[7-(4-ethylpiperazin-1-yl)thieno[2,3-c]pyridin-5-yl]-2-pyridinyl]morpholine;hydrochloride
PubChem CID22502727
Molecular FormulaC22H28ClN5OS
Molecular Weight446.02 g/mol
Exact Mass445.17
IUPAC Name4-[5-[7-(4-ethylpiperazin-1-yl)thieno[2,3-c]pyridin-5-yl]-2-pyridinyl]morpholine;hydrochloride
SMILESCCN1CCN(c2nc(-c3ccc(N4CCOCC4)nc3)cc3ccsc23)CC1.Cl
InChIInChI=1S/C22H27N5OS.ClH/c1-2-25-6-8-27(9-7-25)22-21-17(5-14-29-21)15-19(24-22)18-3-4-20(23-16-18)26-10-12-28-13-11-26;/h3-5,14-16H,2,6-13H2,1H3;1H
InChIKeyDGTGIQGSKYHPQT-UHFFFAOYSA-N
XLogP3.76
TPSA44.73 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.02
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[5-[7-(4-ethylpiperazin-1-yl)thieno[2,3-c]pyridin-5-yl]-2-pyridinyl]morpholine;hydrochloride?
The IUPAC name of 4-[5-[7-(4-ethylpiperazin-1-yl)thieno[2,3-c]pyridin-5-yl]-2-pyridinyl]morpholine;hydrochloride (CID 22502727) is 4-[5-[7-(4-ethylpiperazin-1-yl)thieno[2,3-c]pyridin-5-yl]-2-pyridinyl]morpholine;hydrochloride.
What is the SMILES notation for 4-[5-[7-(4-ethylpiperazin-1-yl)thieno[2,3-c]pyridin-5-yl]-2-pyridinyl]morpholine;hydrochloride?
The canonical SMILES for 4-[5-[7-(4-ethylpiperazin-1-yl)thieno[2,3-c]pyridin-5-yl]-2-pyridinyl]morpholine;hydrochloride is CCN1CCN(c2nc(-c3ccc(N4CCOCC4)nc3)cc3ccsc23)CC1.Cl.
What is the InChIKey of 4-[5-[7-(4-ethylpiperazin-1-yl)thieno[2,3-c]pyridin-5-yl]-2-pyridinyl]morpholine;hydrochloride?
The InChIKey is DGTGIQGSKYHPQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N5OS.ClH/c1-2-25-6-8-27(9-7-25)22-21-17(5-14-29-21)15-19(24-22)18-3-4-20(23-16-18)26-10-12-28-13-11-26;/h3-5,14-16H,2,6-13H2,1H3;1H.
What are the key properties of 4-[5-[7-(4-ethylpiperazin-1-yl)thieno[2,3-c]pyridin-5-yl]-2-pyridinyl]morpholine;hydrochloride?
4-[5-[7-(4-ethylpiperazin-1-yl)thieno[2,3-c]pyridin-5-yl]-2-pyridinyl]morpholine;hydrochloride has a molecular weight of 446.02 g/mol, XLogP of 3.76, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-[7-(4-ethylpiperazin-1-yl)thieno[2,3-c]pyridin-5-yl]-2-pyridinyl]morpholine;hydrochloride is sourced from PubChem (CID 22502727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).