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

C22H27N5OS — CID 22502728

IUPAC4-[5-[7-(4-ethylpiperazin-1-yl)thieno[2,3-c]pyridin-5-yl]-2-pyridinyl]morpholine
SMILESCCN1CCN(c2nc(-c3ccc(N4CCOCC4)nc3)cc3ccsc23)CC1
InChIInChI=1S/C22H27N5OS/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
InChIKeyWBZDOOBTNCRCIY-UHFFFAOYSA-N
MW409.56 g/mol
LogP3.34
Rot. Bonds4

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

4-[5-[7-(4-ethylpiperazin-1-yl)thieno[2,3-c]pyridin-5-yl]-2-pyridinyl]morpholine (PubChem CID 22502728) has the molecular formula C22H27N5OS and a molecular weight of 409.56 g/mol. Its IUPAC name is 4-[5-[7-(4-ethylpiperazin-1-yl)thieno[2,3-c]pyridin-5-yl]-2-pyridinyl]morpholine.

Molecular Properties

Compound Name4-[5-[7-(4-ethylpiperazin-1-yl)thieno[2,3-c]pyridin-5-yl]-2-pyridinyl]morpholine
PubChem CID22502728
Molecular FormulaC22H27N5OS
Molecular Weight409.56 g/mol
Exact Mass409.19
IUPAC Name4-[5-[7-(4-ethylpiperazin-1-yl)thieno[2,3-c]pyridin-5-yl]-2-pyridinyl]morpholine
SMILESCCN1CCN(c2nc(-c3ccc(N4CCOCC4)nc3)cc3ccsc23)CC1
InChIInChI=1S/C22H27N5OS/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
InChIKeyWBZDOOBTNCRCIY-UHFFFAOYSA-N
XLogP3.34
TPSA44.73 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.56
LogP ≤ 53.34
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?
The IUPAC name of 4-[5-[7-(4-ethylpiperazin-1-yl)thieno[2,3-c]pyridin-5-yl]-2-pyridinyl]morpholine (CID 22502728) is 4-[5-[7-(4-ethylpiperazin-1-yl)thieno[2,3-c]pyridin-5-yl]-2-pyridinyl]morpholine.
What is the SMILES notation for 4-[5-[7-(4-ethylpiperazin-1-yl)thieno[2,3-c]pyridin-5-yl]-2-pyridinyl]morpholine?
The canonical SMILES for 4-[5-[7-(4-ethylpiperazin-1-yl)thieno[2,3-c]pyridin-5-yl]-2-pyridinyl]morpholine is CCN1CCN(c2nc(-c3ccc(N4CCOCC4)nc3)cc3ccsc23)CC1.
What is the InChIKey of 4-[5-[7-(4-ethylpiperazin-1-yl)thieno[2,3-c]pyridin-5-yl]-2-pyridinyl]morpholine?
The InChIKey is WBZDOOBTNCRCIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N5OS/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.
What are the key properties of 4-[5-[7-(4-ethylpiperazin-1-yl)thieno[2,3-c]pyridin-5-yl]-2-pyridinyl]morpholine?
4-[5-[7-(4-ethylpiperazin-1-yl)thieno[2,3-c]pyridin-5-yl]-2-pyridinyl]morpholine has a molecular weight of 409.56 g/mol, XLogP of 3.34, 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 is sourced from PubChem (CID 22502728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).