5-(4-chloro-2-methyl-6-thieno[3,2-b]pyridin-7-ylphenoxy)piperidin-2-one

C19H17ClN2O2S — CID 138610644

IUPAC5-(4-chloro-2-methyl-6-thieno[3,2-b]pyridin-7-ylphenoxy)piperidin-2-one
SMILESCc1cc(Cl)cc(-c2ccnc3ccsc23)c1OC1CCC(=O)NC1
InChIInChI=1S/C19H17ClN2O2S/c1-11-8-12(20)9-15(14-4-6-21-16-5-7-25-19(14)16)18(11)24-13-2-3-17(23)22-10-13/h4-9,13H,2-3,10H2,1H3,(H,22,23)
InChIKeyYRPGFXHAVFTAKK-UHFFFAOYSA-N
MW372.88 g/mol
LogP4.58
Rot. Bonds3

About 5-(4-chloro-2-methyl-6-thieno[3,2-b]pyridin-7-ylphenoxy)piperidin-2-one

5-(4-chloro-2-methyl-6-thieno[3,2-b]pyridin-7-ylphenoxy)piperidin-2-one (PubChem CID 138610644) has the molecular formula C19H17ClN2O2S and a molecular weight of 372.88 g/mol. Its IUPAC name is 5-(4-chloro-2-methyl-6-thieno[3,2-b]pyridin-7-ylphenoxy)piperidin-2-one.

Molecular Properties

Compound Name5-(4-chloro-2-methyl-6-thieno[3,2-b]pyridin-7-ylphenoxy)piperidin-2-one
PubChem CID138610644
Molecular FormulaC19H17ClN2O2S
Molecular Weight372.88 g/mol
Exact Mass372.07
IUPAC Name5-(4-chloro-2-methyl-6-thieno[3,2-b]pyridin-7-ylphenoxy)piperidin-2-one
SMILESCc1cc(Cl)cc(-c2ccnc3ccsc23)c1OC1CCC(=O)NC1
InChIInChI=1S/C19H17ClN2O2S/c1-11-8-12(20)9-15(14-4-6-21-16-5-7-25-19(14)16)18(11)24-13-2-3-17(23)22-10-13/h4-9,13H,2-3,10H2,1H3,(H,22,23)
InChIKeyYRPGFXHAVFTAKK-UHFFFAOYSA-N
XLogP4.58
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.88
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[[7-(5-chloro-3-methyl-2-piperidin-3-yloxyphenyl)thieno[3,2-b]pyridin-2-yl]methyl]piperazin-2-one
CID 168952662
(3R)-1-[[7-[5-chloro-3-methyl-2-[(3S)-piperidin-3-yl]oxyphenyl]thieno[3,2-b]pyridin-2-yl]methyl]-3-methoxypyrrolidine-2,5-dione
CID 138609808
3-[[7-(5-chloro-2-cyclohexyloxy-3-methylphenyl)thieno[3,2-b]pyridin-2-yl]methyl]-3-azabicyclo[3.1.0]hexane-2,4-dione
CID 159960441
3-[[7-[5-chloro-3-methyl-2-[(3S)-piperidin-3-yl]oxyphenyl]thieno[3,2-b]pyridin-2-yl]methyl]-5,5-dimethyl-1,3-oxazolidine-2,4-dione
CID 138609907
[7-[5-chloro-3-methyl-2-[4-(methylamino)cyclohexyl]oxyphenyl]thieno[3,2-b]pyridin-2-yl]methanol
CID 138610055
1-[[7-[2-(3-azabicyclo[3.1.1]heptan-6-yloxy)-5-chloro-3-methylphenyl]thieno[3,2-b]pyridin-2-yl]methyl]pyrrolidine-2,5-dione
CID 154606498
6-[[7-[5-chloro-3-methyl-2-[(3S)-piperidin-3-yl]oxyphenyl]thieno[3,2-b]pyridin-2-yl]methyl]pyrrolo[3,4-b]pyridine-5,7-dione
CID 138610015
2-[[7-(5-chloro-2-cyclohexyloxy-3-methylphenyl)thieno[3,2-b]pyridin-2-yl]methyl]-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridine-1,3-dione
CID 158590949
3-[[7-[5-chloro-3-methyl-2-[(3S,6S)-6-methylpiperidin-3-yl]oxyphenyl]thieno[3,2-b]pyridin-2-yl]methyl]-1-(2,2,2-trifluoroethyl)pyrimidine-2,4-dione
CID 138610474
[7-[2-[[(2R)-azetidin-2-yl]methoxy]-5-chloro-3-methylphenyl]thieno[3,2-b]pyridin-2-yl]methanol
CID 138609796
[7-[2-(azetidin-2-ylmethoxy)-5-chloro-3-methylphenyl]thieno[3,2-b]pyridin-2-yl]methanol
CID 138609798
1-[[7-[5-chloro-2-[(1R,2S)-2-(fluoromethyl)cyclopentyl]oxy-3-methylphenyl]thieno[3,2-b]pyridin-2-yl]methyl]pyrrolidine-2,5-dione
CID 159736050

Frequently Asked Questions

What is the IUPAC name of 5-(4-chloro-2-methyl-6-thieno[3,2-b]pyridin-7-ylphenoxy)piperidin-2-one?
The IUPAC name of 5-(4-chloro-2-methyl-6-thieno[3,2-b]pyridin-7-ylphenoxy)piperidin-2-one (CID 138610644) is 5-(4-chloro-2-methyl-6-thieno[3,2-b]pyridin-7-ylphenoxy)piperidin-2-one.
What is the SMILES notation for 5-(4-chloro-2-methyl-6-thieno[3,2-b]pyridin-7-ylphenoxy)piperidin-2-one?
The canonical SMILES for 5-(4-chloro-2-methyl-6-thieno[3,2-b]pyridin-7-ylphenoxy)piperidin-2-one is Cc1cc(Cl)cc(-c2ccnc3ccsc23)c1OC1CCC(=O)NC1.
What is the InChIKey of 5-(4-chloro-2-methyl-6-thieno[3,2-b]pyridin-7-ylphenoxy)piperidin-2-one?
The InChIKey is YRPGFXHAVFTAKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClN2O2S/c1-11-8-12(20)9-15(14-4-6-21-16-5-7-25-19(14)16)18(11)24-13-2-3-17(23)22-10-13/h4-9,13H,2-3,10H2,1H3,(H,22,23).
What are the key properties of 5-(4-chloro-2-methyl-6-thieno[3,2-b]pyridin-7-ylphenoxy)piperidin-2-one?
5-(4-chloro-2-methyl-6-thieno[3,2-b]pyridin-7-ylphenoxy)piperidin-2-one has a molecular weight of 372.88 g/mol, XLogP of 4.58, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chloro-2-methyl-6-thieno[3,2-b]pyridin-7-ylphenoxy)piperidin-2-one is sourced from PubChem (CID 138610644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).