3-[[7-(5-chloro-3-methyl-2-piperidin-3-yloxyphenyl)thieno[3,2-b]pyridin-2-yl]methyl]piperazin-2-one

C24H27ClN4O2S — CID 168952662

IUPAC3-[[7-(5-chloro-3-methyl-2-piperidin-3-yloxyphenyl)thieno[3,2-b]pyridin-2-yl]methyl]piperazin-2-one
SMILESCc1cc(Cl)cc(-c2ccnc3cc(CC4NCCNC4=O)sc23)c1OC1CCCNC1
InChIInChI=1S/C24H27ClN4O2S/c1-14-9-15(25)10-19(22(14)31-16-3-2-5-26-13-16)18-4-6-27-20-11-17(32-23(18)20)12-21-24(30)29-8-7-28-21/h4,6,9-11,16,21,26,28H,2-3,5,7-8,12-13H2,1H3,(H,29,30)
InChIKeyQAVRISUCILKIBF-UHFFFAOYSA-N
MW471.03 g/mol
LogP3.69
Rot. Bonds5

About 3-[[7-(5-chloro-3-methyl-2-piperidin-3-yloxyphenyl)thieno[3,2-b]pyridin-2-yl]methyl]piperazin-2-one

3-[[7-(5-chloro-3-methyl-2-piperidin-3-yloxyphenyl)thieno[3,2-b]pyridin-2-yl]methyl]piperazin-2-one (PubChem CID 168952662) has the molecular formula C24H27ClN4O2S and a molecular weight of 471.03 g/mol. Its IUPAC name is 3-[[7-(5-chloro-3-methyl-2-piperidin-3-yloxyphenyl)thieno[3,2-b]pyridin-2-yl]methyl]piperazin-2-one.

Molecular Properties

Compound Name3-[[7-(5-chloro-3-methyl-2-piperidin-3-yloxyphenyl)thieno[3,2-b]pyridin-2-yl]methyl]piperazin-2-one
PubChem CID168952662
Molecular FormulaC24H27ClN4O2S
Molecular Weight471.03 g/mol
Exact Mass470.15
IUPAC Name3-[[7-(5-chloro-3-methyl-2-piperidin-3-yloxyphenyl)thieno[3,2-b]pyridin-2-yl]methyl]piperazin-2-one
SMILESCc1cc(Cl)cc(-c2ccnc3cc(CC4NCCNC4=O)sc23)c1OC1CCCNC1
InChIInChI=1S/C24H27ClN4O2S/c1-14-9-15(25)10-19(22(14)31-16-3-2-5-26-13-16)18-4-6-27-20-11-17(32-23(18)20)12-21-24(30)29-8-7-28-21/h4,6,9-11,16,21,26,28H,2-3,5,7-8,12-13H2,1H3,(H,29,30)
InChIKeyQAVRISUCILKIBF-UHFFFAOYSA-N
XLogP3.69
TPSA75.28 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.03
LogP ≤ 53.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 3-[[7-(5-chloro-3-methyl-2-piperidin-3-yloxyphenyl)thieno[3,2-b]pyridin-2-yl]methyl]piperazin-2-one with MolForge

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Related Compounds

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
(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
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
[7-[5-fluoro-3-methyl-2-[(3S)-piperidin-3-yl]oxyphenyl]thieno[3,2-b]pyridin-2-yl]methanol
CID 138609790
[7-(5-fluoro-3-methyl-2-piperidin-3-yloxyphenyl)thieno[3,2-b]pyridin-2-yl]methanol
CID 138609793
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-methylthieno[3,2-b]pyridin-2-yl)methyl]piperazin-2-one
CID 170041666
3-methyl-5-(2-methylthieno[3,2-b]pyridin-7-yl)-4-[(3S)-piperidin-3-yl]oxybenzonitrile
CID 138610504
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
[7-[5-chloro-3-methyl-2-[4-(methylamino)cyclohexyl]oxyphenyl]thieno[3,2-b]pyridin-2-yl]methanol
CID 138610055
3-[[7-[5-(difluoromethyl)-3-methyl-2-[(3S)-piperidin-3-yl]oxyphenyl]thieno[3,2-b]pyridin-2-yl]methyl]-1-methylpyrimidine-2,4-dione
CID 138610044
7-[5-chloro-3-methyl-2-[(3S)-piperidin-3-yl]oxyphenyl]-2-methyl-1H-imidazo[4,5-b]pyridine;hydrochloride
CID 168844092

Frequently Asked Questions

What is the IUPAC name of 3-[[7-(5-chloro-3-methyl-2-piperidin-3-yloxyphenyl)thieno[3,2-b]pyridin-2-yl]methyl]piperazin-2-one?
The IUPAC name of 3-[[7-(5-chloro-3-methyl-2-piperidin-3-yloxyphenyl)thieno[3,2-b]pyridin-2-yl]methyl]piperazin-2-one (CID 168952662) is 3-[[7-(5-chloro-3-methyl-2-piperidin-3-yloxyphenyl)thieno[3,2-b]pyridin-2-yl]methyl]piperazin-2-one.
What is the SMILES notation for 3-[[7-(5-chloro-3-methyl-2-piperidin-3-yloxyphenyl)thieno[3,2-b]pyridin-2-yl]methyl]piperazin-2-one?
The canonical SMILES for 3-[[7-(5-chloro-3-methyl-2-piperidin-3-yloxyphenyl)thieno[3,2-b]pyridin-2-yl]methyl]piperazin-2-one is Cc1cc(Cl)cc(-c2ccnc3cc(CC4NCCNC4=O)sc23)c1OC1CCCNC1.
What is the InChIKey of 3-[[7-(5-chloro-3-methyl-2-piperidin-3-yloxyphenyl)thieno[3,2-b]pyridin-2-yl]methyl]piperazin-2-one?
The InChIKey is QAVRISUCILKIBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27ClN4O2S/c1-14-9-15(25)10-19(22(14)31-16-3-2-5-26-13-16)18-4-6-27-20-11-17(32-23(18)20)12-21-24(30)29-8-7-28-21/h4,6,9-11,16,21,26,28H,2-3,5,7-8,12-13H2,1H3,(H,29,30).
What are the key properties of 3-[[7-(5-chloro-3-methyl-2-piperidin-3-yloxyphenyl)thieno[3,2-b]pyridin-2-yl]methyl]piperazin-2-one?
3-[[7-(5-chloro-3-methyl-2-piperidin-3-yloxyphenyl)thieno[3,2-b]pyridin-2-yl]methyl]piperazin-2-one has a molecular weight of 471.03 g/mol, XLogP of 3.69, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[7-(5-chloro-3-methyl-2-piperidin-3-yloxyphenyl)thieno[3,2-b]pyridin-2-yl]methyl]piperazin-2-one is sourced from PubChem (CID 168952662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).