2-[(6-methoxy-3-pyridinyl)methoxy]-1-(4-thieno[3,2-c]pyridin-4-ylpiperazin-1-yl)ethanone

C20H22N4O3S — CID 126822666

IUPAC2-[(6-methoxy-3-pyridinyl)methoxy]-1-(4-thieno[3,2-c]pyridin-4-ylpiperazin-1-yl)ethanone
SMILESCOc1ccc(COCC(=O)N2CCN(c3nccc4sccc34)CC2)cn1
InChIInChI=1S/C20H22N4O3S/c1-26-18-3-2-15(12-22-18)13-27-14-19(25)23-7-9-24(10-8-23)20-16-5-11-28-17(16)4-6-21-20/h2-6,11-12H,7-10,13-14H2,1H3
InChIKeyWAEDZVFVOJLACS-UHFFFAOYSA-N
MW398.49 g/mol
LogP2.57
Rot. Bonds6

About 2-[(6-methoxy-3-pyridinyl)methoxy]-1-(4-thieno[3,2-c]pyridin-4-ylpiperazin-1-yl)ethanone

2-[(6-methoxy-3-pyridinyl)methoxy]-1-(4-thieno[3,2-c]pyridin-4-ylpiperazin-1-yl)ethanone (PubChem CID 126822666) has the molecular formula C20H22N4O3S and a molecular weight of 398.49 g/mol. Its IUPAC name is 2-[(6-methoxy-3-pyridinyl)methoxy]-1-(4-thieno[3,2-c]pyridin-4-ylpiperazin-1-yl)ethanone.

Molecular Properties

Compound Name2-[(6-methoxy-3-pyridinyl)methoxy]-1-(4-thieno[3,2-c]pyridin-4-ylpiperazin-1-yl)ethanone
PubChem CID126822666
Molecular FormulaC20H22N4O3S
Molecular Weight398.49 g/mol
Exact Mass398.14
IUPAC Name2-[(6-methoxy-3-pyridinyl)methoxy]-1-(4-thieno[3,2-c]pyridin-4-ylpiperazin-1-yl)ethanone
SMILESCOc1ccc(COCC(=O)N2CCN(c3nccc4sccc34)CC2)cn1
InChIInChI=1S/C20H22N4O3S/c1-26-18-3-2-15(12-22-18)13-27-14-19(25)23-7-9-24(10-8-23)20-16-5-11-28-17(16)4-6-21-20/h2-6,11-12H,7-10,13-14H2,1H3
InChIKeyWAEDZVFVOJLACS-UHFFFAOYSA-N
XLogP2.57
TPSA67.79 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.49
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 2-[(6-methoxy-3-pyridinyl)methoxy]-1-(4-thieno[3,2-c]pyridin-4-ylpiperazin-1-yl)ethanone with MolForge

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Related Compounds

1-[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]-2-[(6-methoxy-3-pyridinyl)methoxy]ethanone
CID 126822306
4-[4-(5-methoxypyrimidin-2-yl)piperazin-1-yl]thieno[3,2-c]pyridine
CID 171702458
(1-methylpyrazol-4-yl)-(4-thieno[3,2-c]pyridin-4-ylpiperazin-1-yl)methanone
CID 172902883
1-[(6-methoxy-3-pyridinyl)methoxy]propan-2-one
CID 129259580
2-[(6-methoxy-3-pyridinyl)methoxy]-1-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]ethanone
CID 126838363
1-thieno[3,2-c]pyridin-4-ylpiperidine-4-carboxamide
CID 155980991
2-(4-methoxyphenyl)sulfanyl-1-(4-thieno[2,3-d]pyrimidin-4-ylpiperazin-1-yl)ethanone
CID 112814543
N-(4-ethylphenyl)-1-thieno[3,2-c]pyridin-4-ylpiperidine-4-carboxamide
CID 46395494
2-[(6-methoxy-3-pyridinyl)methoxy]-N-[(4-methyl-6,7-dihydrothieno[3,2-c]pyran-4-yl)methyl]acetamide
CID 167816970
2-ethoxy-1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]ethanone
CID 60708282
1-(6,8-dimethyl-2,3-dihydro-1,4-benzoxazin-4-yl)-2-[(6-methoxy-3-pyridinyl)methoxy]ethanone
CID 126826772
4-[4-(8-methylnonyl)piperazin-1-yl]thieno[3,2-c]pyridine
CID 174256279

Frequently Asked Questions

What is the IUPAC name of 2-[(6-methoxy-3-pyridinyl)methoxy]-1-(4-thieno[3,2-c]pyridin-4-ylpiperazin-1-yl)ethanone?
The IUPAC name of 2-[(6-methoxy-3-pyridinyl)methoxy]-1-(4-thieno[3,2-c]pyridin-4-ylpiperazin-1-yl)ethanone (CID 126822666) is 2-[(6-methoxy-3-pyridinyl)methoxy]-1-(4-thieno[3,2-c]pyridin-4-ylpiperazin-1-yl)ethanone.
What is the SMILES notation for 2-[(6-methoxy-3-pyridinyl)methoxy]-1-(4-thieno[3,2-c]pyridin-4-ylpiperazin-1-yl)ethanone?
The canonical SMILES for 2-[(6-methoxy-3-pyridinyl)methoxy]-1-(4-thieno[3,2-c]pyridin-4-ylpiperazin-1-yl)ethanone is COc1ccc(COCC(=O)N2CCN(c3nccc4sccc34)CC2)cn1.
What is the InChIKey of 2-[(6-methoxy-3-pyridinyl)methoxy]-1-(4-thieno[3,2-c]pyridin-4-ylpiperazin-1-yl)ethanone?
The InChIKey is WAEDZVFVOJLACS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O3S/c1-26-18-3-2-15(12-22-18)13-27-14-19(25)23-7-9-24(10-8-23)20-16-5-11-28-17(16)4-6-21-20/h2-6,11-12H,7-10,13-14H2,1H3.
What are the key properties of 2-[(6-methoxy-3-pyridinyl)methoxy]-1-(4-thieno[3,2-c]pyridin-4-ylpiperazin-1-yl)ethanone?
2-[(6-methoxy-3-pyridinyl)methoxy]-1-(4-thieno[3,2-c]pyridin-4-ylpiperazin-1-yl)ethanone has a molecular weight of 398.49 g/mol, XLogP of 2.57, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-methoxy-3-pyridinyl)methoxy]-1-(4-thieno[3,2-c]pyridin-4-ylpiperazin-1-yl)ethanone is sourced from PubChem (CID 126822666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).