4-[7-(4-ethylpiperazin-1-yl)thieno[2,3-c]pyridin-5-yl]-N-propylbenzamide;dihydrochloride

C23H30Cl2N4OS — CID 22503547

IUPAC4-[7-(4-ethylpiperazin-1-yl)thieno[2,3-c]pyridin-5-yl]-N-propylbenzamide;dihydrochloride
SMILESCCCNC(=O)c1ccc(-c2cc3ccsc3c(N3CCN(CC)CC3)n2)cc1.Cl.Cl
InChIInChI=1S/C23H28N4OS.2ClH/c1-3-10-24-23(28)18-7-5-17(6-8-18)20-16-19-9-15-29-21(19)22(25-20)27-13-11-26(4-2)12-14-27;;/h5-9,15-16H,3-4,10-14H2,1-2H3,(H,24,28);2*1H
InChIKeyJTMDXRPNAPEYPF-UHFFFAOYSA-N
MW481.49 g/mol
LogP5.09
Rot. Bonds6

About 4-[7-(4-ethylpiperazin-1-yl)thieno[2,3-c]pyridin-5-yl]-N-propylbenzamide;dihydrochloride

4-[7-(4-ethylpiperazin-1-yl)thieno[2,3-c]pyridin-5-yl]-N-propylbenzamide;dihydrochloride (PubChem CID 22503547) has the molecular formula C23H30Cl2N4OS and a molecular weight of 481.49 g/mol. Its IUPAC name is 4-[7-(4-ethylpiperazin-1-yl)thieno[2,3-c]pyridin-5-yl]-N-propylbenzamide;dihydrochloride.

Molecular Properties

Compound Name4-[7-(4-ethylpiperazin-1-yl)thieno[2,3-c]pyridin-5-yl]-N-propylbenzamide;dihydrochloride
PubChem CID22503547
Molecular FormulaC23H30Cl2N4OS
Molecular Weight481.49 g/mol
Exact Mass480.15
IUPAC Name4-[7-(4-ethylpiperazin-1-yl)thieno[2,3-c]pyridin-5-yl]-N-propylbenzamide;dihydrochloride
SMILESCCCNC(=O)c1ccc(-c2cc3ccsc3c(N3CCN(CC)CC3)n2)cc1.Cl.Cl
InChIInChI=1S/C23H28N4OS.2ClH/c1-3-10-24-23(28)18-7-5-17(6-8-18)20-16-19-9-15-29-21(19)22(25-20)27-13-11-26(4-2)12-14-27;;/h5-9,15-16H,3-4,10-14H2,1-2H3,(H,24,28);2*1H
InChIKeyJTMDXRPNAPEYPF-UHFFFAOYSA-N
XLogP5.09
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500481.49
LogP ≤ 55.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[4-[7-(4-ethylpiperazin-1-yl)thieno[2,3-c]pyridin-5-yl]phenyl]butan-2-one
CID 22503295
7-(4-ethylpiperazin-1-yl)-5-[6-(2-methoxyethoxy)-3-pyridinyl]thieno[2,3-c]pyridine;hydrochloride
CID 22503644
(2S)-2-[4-[7-(4-ethylpiperazin-1-yl)thieno[2,3-c]pyridin-5-yl]phenoxy]propan-1-ol
CID 59871010
(2R)-1-[4-[7-(4-ethylpiperazin-1-yl)thieno[2,3-c]pyridin-5-yl]phenoxy]propan-2-ol
CID 59871011
[cyclohexyl-[4-[7-(4-ethylpiperazin-1-yl)thieno[2,3-c]pyridin-5-yl]phenyl]methyl] acetate
CID 69183239
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
N-[[4-[1-(4-ethylpiperazin-1-yl)isoquinolin-3-yl]phenyl]methyl]butanamide;hydrochloride
CID 22503347
N-propyl-4-(6-pyrrolidin-1-ylpyridazin-3-yl)benzamide
CID 53035071
4-(4-methyl-2-pyridinyl)-N-propylbenzamide
CID 59673771
1-N-ethyl-3-N-[2-(4-thieno[3,2-d]pyrimidin-4-ylpiperazin-1-yl)ethyl]benzene-1,3-dicarboxamide
CID 90398948

Frequently Asked Questions

What is the IUPAC name of 4-[7-(4-ethylpiperazin-1-yl)thieno[2,3-c]pyridin-5-yl]-N-propylbenzamide;dihydrochloride?
The IUPAC name of 4-[7-(4-ethylpiperazin-1-yl)thieno[2,3-c]pyridin-5-yl]-N-propylbenzamide;dihydrochloride (CID 22503547) is 4-[7-(4-ethylpiperazin-1-yl)thieno[2,3-c]pyridin-5-yl]-N-propylbenzamide;dihydrochloride.
What is the SMILES notation for 4-[7-(4-ethylpiperazin-1-yl)thieno[2,3-c]pyridin-5-yl]-N-propylbenzamide;dihydrochloride?
The canonical SMILES for 4-[7-(4-ethylpiperazin-1-yl)thieno[2,3-c]pyridin-5-yl]-N-propylbenzamide;dihydrochloride is CCCNC(=O)c1ccc(-c2cc3ccsc3c(N3CCN(CC)CC3)n2)cc1.Cl.Cl.
What is the InChIKey of 4-[7-(4-ethylpiperazin-1-yl)thieno[2,3-c]pyridin-5-yl]-N-propylbenzamide;dihydrochloride?
The InChIKey is JTMDXRPNAPEYPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4OS.2ClH/c1-3-10-24-23(28)18-7-5-17(6-8-18)20-16-19-9-15-29-21(19)22(25-20)27-13-11-26(4-2)12-14-27;;/h5-9,15-16H,3-4,10-14H2,1-2H3,(H,24,28);2*1H.
What are the key properties of 4-[7-(4-ethylpiperazin-1-yl)thieno[2,3-c]pyridin-5-yl]-N-propylbenzamide;dihydrochloride?
4-[7-(4-ethylpiperazin-1-yl)thieno[2,3-c]pyridin-5-yl]-N-propylbenzamide;dihydrochloride has a molecular weight of 481.49 g/mol, XLogP of 5.09, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[7-(4-ethylpiperazin-1-yl)thieno[2,3-c]pyridin-5-yl]-N-propylbenzamide;dihydrochloride is sourced from PubChem (CID 22503547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).