4-[4-[7-(4-ethylpiperazin-1-yl)thieno[2,3-c]pyridin-5-yl]phenyl]butan-2-one

C23H27N3OS — CID 22503295

IUPAC4-[4-[7-(4-ethylpiperazin-1-yl)thieno[2,3-c]pyridin-5-yl]phenyl]butan-2-one
SMILESCCN1CCN(c2nc(-c3ccc(CCC(C)=O)cc3)cc3ccsc23)CC1
InChIInChI=1S/C23H27N3OS/c1-3-25-11-13-26(14-12-25)23-22-20(10-15-28-22)16-21(24-23)19-8-6-18(7-9-19)5-4-17(2)27/h6-10,15-16H,3-5,11-14H2,1-2H3
InChIKeyIJZWXNDFTOZOMU-UHFFFAOYSA-N
MW393.56 g/mol
LogP4.63
Rot. Bonds6

About 4-[4-[7-(4-ethylpiperazin-1-yl)thieno[2,3-c]pyridin-5-yl]phenyl]butan-2-one

4-[4-[7-(4-ethylpiperazin-1-yl)thieno[2,3-c]pyridin-5-yl]phenyl]butan-2-one (PubChem CID 22503295) has the molecular formula C23H27N3OS and a molecular weight of 393.56 g/mol. Its IUPAC name is 4-[4-[7-(4-ethylpiperazin-1-yl)thieno[2,3-c]pyridin-5-yl]phenyl]butan-2-one.

Molecular Properties

Compound Name4-[4-[7-(4-ethylpiperazin-1-yl)thieno[2,3-c]pyridin-5-yl]phenyl]butan-2-one
PubChem CID22503295
Molecular FormulaC23H27N3OS
Molecular Weight393.56 g/mol
Exact Mass393.19
IUPAC Name4-[4-[7-(4-ethylpiperazin-1-yl)thieno[2,3-c]pyridin-5-yl]phenyl]butan-2-one
SMILESCCN1CCN(c2nc(-c3ccc(CCC(C)=O)cc3)cc3ccsc23)CC1
InChIInChI=1S/C23H27N3OS/c1-3-25-11-13-26(14-12-25)23-22-20(10-15-28-22)16-21(24-23)19-8-6-18(7-9-19)5-4-17(2)27/h6-10,15-16H,3-5,11-14H2,1-2H3
InChIKeyIJZWXNDFTOZOMU-UHFFFAOYSA-N
XLogP4.63
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.56
LogP ≤ 54.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 4-[4-[7-(4-ethylpiperazin-1-yl)thieno[2,3-c]pyridin-5-yl]phenyl]butan-2-one with MolForge

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Related Compounds

4-[7-(4-ethylpiperazin-1-yl)thieno[2,3-c]pyridin-5-yl]-N-propylbenzamide;dihydrochloride
CID 22503547
(2R)-1-[4-[7-(4-ethylpiperazin-1-yl)thieno[2,3-c]pyridin-5-yl]phenoxy]propan-2-ol
CID 59871011
(2S)-2-[4-[7-(4-ethylpiperazin-1-yl)thieno[2,3-c]pyridin-5-yl]phenoxy]propan-1-ol
CID 59871010
[cyclohexyl-[4-[7-(4-ethylpiperazin-1-yl)thieno[2,3-c]pyridin-5-yl]phenyl]methyl] acetate
CID 69183239
7-(4-ethylpiperazin-1-yl)-5-[6-(2-methoxyethoxy)-3-pyridinyl]thieno[2,3-c]pyridine;hydrochloride
CID 22503644
4-[5-[7-(4-ethylpiperazin-1-yl)thieno[2,3-c]pyridin-5-yl]-2-pyridinyl]morpholine;hydrochloride
CID 22502727
(2R,4S)-2-[4-[7-(4-ethylpiperazin-1-yl)thieno[2,3-c]pyridin-5-yl]phenyl]oxan-4-ol
CID 20720195
5-[7-(4-ethylpiperazin-1-yl)thieno[2,3-c]pyridin-5-yl]-2-(3-hydroxypropyl)benzonitrile
CID 22502585
7-(4-ethylpiperazin-1-yl)-5-[6-(1-methoxypropan-2-yloxy)-3-pyridinyl]thieno[2,3-c]pyridine
CID 20720222
N-[[4-[1-(4-ethylpiperazin-1-yl)isoquinolin-3-yl]phenyl]methyl]butanamide;hydrochloride
CID 22503347
4-[4-[7-(4-ethylpiperazin-1-yl)furo[2,3-c]pyridin-5-yl]phenyl]-2-methylbutan-2-ol
CID 20770388
N-[4-[1-(4-ethylpiperazin-1-yl)isoquinolin-3-yl]phenyl]butanamide
CID 22503016

Frequently Asked Questions

What is the IUPAC name of 4-[4-[7-(4-ethylpiperazin-1-yl)thieno[2,3-c]pyridin-5-yl]phenyl]butan-2-one?
The IUPAC name of 4-[4-[7-(4-ethylpiperazin-1-yl)thieno[2,3-c]pyridin-5-yl]phenyl]butan-2-one (CID 22503295) is 4-[4-[7-(4-ethylpiperazin-1-yl)thieno[2,3-c]pyridin-5-yl]phenyl]butan-2-one.
What is the SMILES notation for 4-[4-[7-(4-ethylpiperazin-1-yl)thieno[2,3-c]pyridin-5-yl]phenyl]butan-2-one?
The canonical SMILES for 4-[4-[7-(4-ethylpiperazin-1-yl)thieno[2,3-c]pyridin-5-yl]phenyl]butan-2-one is CCN1CCN(c2nc(-c3ccc(CCC(C)=O)cc3)cc3ccsc23)CC1.
What is the InChIKey of 4-[4-[7-(4-ethylpiperazin-1-yl)thieno[2,3-c]pyridin-5-yl]phenyl]butan-2-one?
The InChIKey is IJZWXNDFTOZOMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3OS/c1-3-25-11-13-26(14-12-25)23-22-20(10-15-28-22)16-21(24-23)19-8-6-18(7-9-19)5-4-17(2)27/h6-10,15-16H,3-5,11-14H2,1-2H3.
What are the key properties of 4-[4-[7-(4-ethylpiperazin-1-yl)thieno[2,3-c]pyridin-5-yl]phenyl]butan-2-one?
4-[4-[7-(4-ethylpiperazin-1-yl)thieno[2,3-c]pyridin-5-yl]phenyl]butan-2-one has a molecular weight of 393.56 g/mol, XLogP of 4.63, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[7-(4-ethylpiperazin-1-yl)thieno[2,3-c]pyridin-5-yl]phenyl]butan-2-one is sourced from PubChem (CID 22503295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).