3-methyl-5-(2-methylthieno[3,2-b]pyridin-7-yl)-4-[(3S)-piperidin-3-yl]oxybenzonitrile

C21H21N3OS — CID 138610504

IUPAC3-methyl-5-(2-methylthieno[3,2-b]pyridin-7-yl)-4-[(3S)-piperidin-3-yl]oxybenzonitrile
SMILESCc1cc2nccc(-c3cc(C#N)cc(C)c3O[C@H]3CCCNC3)c2s1
InChIInChI=1S/C21H21N3OS/c1-13-8-15(11-22)10-18(20(13)25-16-4-3-6-23-12-16)17-5-7-24-19-9-14(2)26-21(17)19/h5,7-10,16,23H,3-4,6,12H2,1-2H3/t16-/m0/s1
InChIKeyLPUPTEQORSVFHO-INIZCTEOSA-N
MW363.49 g/mol
LogP4.58
Rot. Bonds3

About 3-methyl-5-(2-methylthieno[3,2-b]pyridin-7-yl)-4-[(3S)-piperidin-3-yl]oxybenzonitrile

3-methyl-5-(2-methylthieno[3,2-b]pyridin-7-yl)-4-[(3S)-piperidin-3-yl]oxybenzonitrile (PubChem CID 138610504) has the molecular formula C21H21N3OS and a molecular weight of 363.49 g/mol. Its IUPAC name is 3-methyl-5-(2-methylthieno[3,2-b]pyridin-7-yl)-4-[(3S)-piperidin-3-yl]oxybenzonitrile.

Molecular Properties

Compound Name3-methyl-5-(2-methylthieno[3,2-b]pyridin-7-yl)-4-[(3S)-piperidin-3-yl]oxybenzonitrile
PubChem CID138610504
Molecular FormulaC21H21N3OS
Molecular Weight363.49 g/mol
Exact Mass363.14
IUPAC Name3-methyl-5-(2-methylthieno[3,2-b]pyridin-7-yl)-4-[(3S)-piperidin-3-yl]oxybenzonitrile
SMILESCc1cc2nccc(-c3cc(C#N)cc(C)c3O[C@H]3CCCNC3)c2s1
InChIInChI=1S/C21H21N3OS/c1-13-8-15(11-22)10-18(20(13)25-16-4-3-6-23-12-16)17-5-7-24-19-9-14(2)26-21(17)19/h5,7-10,16,23H,3-4,6,12H2,1-2H3/t16-/m0/s1
InChIKeyLPUPTEQORSVFHO-INIZCTEOSA-N
XLogP4.58
TPSA57.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.49
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-methyl-5-(2-methylthieno[3,2-b]pyridin-7-yl)-4-[(3S)-piperidin-3-yl]oxybenzonitrile with MolForge

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Related Compounds

[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-3-methyl-2-piperidin-3-yloxyphenyl)thieno[3,2-b]pyridin-2-yl]methyl]piperazin-2-one
CID 168952662
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-[3,5-dimethyl-2-[(3S)-piperidin-3-yl]oxyphenyl]-2-methyl-1H-imidazo[4,5-b]pyridine
CID 170034840
(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
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
ethane;3-methyl-2-piperidin-3-yloxypyridine-4-carbonitrile
CID 144616313
3,5-difluoro-4-piperidin-3-yloxybenzonitrile
CID 81286798
3-methyl-4-[(1-methylcyclobutyl)methoxy]-5-thieno[3,2-b]pyridin-7-ylbenzonitrile
CID 146981564

Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-(2-methylthieno[3,2-b]pyridin-7-yl)-4-[(3S)-piperidin-3-yl]oxybenzonitrile?
The IUPAC name of 3-methyl-5-(2-methylthieno[3,2-b]pyridin-7-yl)-4-[(3S)-piperidin-3-yl]oxybenzonitrile (CID 138610504) is 3-methyl-5-(2-methylthieno[3,2-b]pyridin-7-yl)-4-[(3S)-piperidin-3-yl]oxybenzonitrile.
What is the SMILES notation for 3-methyl-5-(2-methylthieno[3,2-b]pyridin-7-yl)-4-[(3S)-piperidin-3-yl]oxybenzonitrile?
The canonical SMILES for 3-methyl-5-(2-methylthieno[3,2-b]pyridin-7-yl)-4-[(3S)-piperidin-3-yl]oxybenzonitrile is Cc1cc2nccc(-c3cc(C#N)cc(C)c3O[C@H]3CCCNC3)c2s1.
What is the InChIKey of 3-methyl-5-(2-methylthieno[3,2-b]pyridin-7-yl)-4-[(3S)-piperidin-3-yl]oxybenzonitrile?
The InChIKey is LPUPTEQORSVFHO-INIZCTEOSA-N. The full InChI is InChI=1S/C21H21N3OS/c1-13-8-15(11-22)10-18(20(13)25-16-4-3-6-23-12-16)17-5-7-24-19-9-14(2)26-21(17)19/h5,7-10,16,23H,3-4,6,12H2,1-2H3/t16-/m0/s1.
What are the key properties of 3-methyl-5-(2-methylthieno[3,2-b]pyridin-7-yl)-4-[(3S)-piperidin-3-yl]oxybenzonitrile?
3-methyl-5-(2-methylthieno[3,2-b]pyridin-7-yl)-4-[(3S)-piperidin-3-yl]oxybenzonitrile has a molecular weight of 363.49 g/mol, XLogP of 4.58, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-(2-methylthieno[3,2-b]pyridin-7-yl)-4-[(3S)-piperidin-3-yl]oxybenzonitrile is sourced from PubChem (CID 138610504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).