2-(1-benzothiophen-3-yl)-1-[5-(ethoxymethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]ethanone

C19H21N3O2S — CID 131638860

IUPAC2-(1-benzothiophen-3-yl)-1-[5-(ethoxymethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]ethanone
SMILESCCOCC1CN(C(=O)Cc2csc3ccccc23)Cc2cncn21
InChIInChI=1S/C19H21N3O2S/c1-2-24-11-16-10-21(9-15-8-20-13-22(15)16)19(23)7-14-12-25-18-6-4-3-5-17(14)18/h3-6,8,12-13,16H,2,7,9-11H2,1H3
InChIKeyMCUTVJAVCXXEDI-UHFFFAOYSA-N
MW355.46 g/mol
LogP3.26
Rot. Bonds5

About 2-(1-benzothiophen-3-yl)-1-[5-(ethoxymethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]ethanone

2-(1-benzothiophen-3-yl)-1-[5-(ethoxymethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]ethanone (PubChem CID 131638860) has the molecular formula C19H21N3O2S and a molecular weight of 355.46 g/mol. Its IUPAC name is 2-(1-benzothiophen-3-yl)-1-[5-(ethoxymethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]ethanone.

Molecular Properties

Compound Name2-(1-benzothiophen-3-yl)-1-[5-(ethoxymethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]ethanone
PubChem CID131638860
Molecular FormulaC19H21N3O2S
Molecular Weight355.46 g/mol
Exact Mass355.14
IUPAC Name2-(1-benzothiophen-3-yl)-1-[5-(ethoxymethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]ethanone
SMILESCCOCC1CN(C(=O)Cc2csc3ccccc23)Cc2cncn21
InChIInChI=1S/C19H21N3O2S/c1-2-24-11-16-10-21(9-15-8-20-13-22(15)16)19(23)7-14-12-25-18-6-4-3-5-17(14)18/h3-6,8,12-13,16H,2,7,9-11H2,1H3
InChIKeyMCUTVJAVCXXEDI-UHFFFAOYSA-N
XLogP3.26
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.46
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(1-benzothiophen-3-yl)-1-[(6S)-6-(methoxymethyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-8-yl]ethanone
CID 97477420
2-ethoxy-1-[5-(pyridin-4-ylmethoxymethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]ethanone
CID 131654847
2-(1-benzothiophen-3-yl)-1-[7-[(dimethylamino)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]ethanone
CID 131660849
1-[5-(diethylaminomethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]-2-thiophen-3-ylethanone
CID 131661826
1-benzothiophen-2-yl-[(5S)-5-(methoxymethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]methanone
CID 124795588
2-methylsulfonyl-1-[5-(pyridin-2-yloxymethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]ethanone
CID 133139399
2-methylsulfonyl-1-[(5R)-5-(pyridin-2-yloxymethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]ethanone
CID 124783000
2-(dimethylamino)-1-[(5S)-5-[(2-methyl-1,3-thiazol-4-yl)methoxymethyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]ethanone
CID 124812405
1-[(5R)-5-[(3-fluoro-2-pyridinyl)oxymethyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]-2-thiophen-3-ylethanone
CID 124788233
(3-methylthiophen-2-yl)-[(5S)-5-(pyridin-2-yloxymethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]methanone
CID 124912265
1-(1-benzothiophen-3-yl)-4-ethoxybutan-2-one
CID 105084973
(3S)-N-[2-(1-benzothiophen-3-yl)ethyl]-3-(ethoxymethyl)pyrrolidine-1-carboxamide
CID 96569224

Frequently Asked Questions

What is the IUPAC name of 2-(1-benzothiophen-3-yl)-1-[5-(ethoxymethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]ethanone?
The IUPAC name of 2-(1-benzothiophen-3-yl)-1-[5-(ethoxymethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]ethanone (CID 131638860) is 2-(1-benzothiophen-3-yl)-1-[5-(ethoxymethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]ethanone.
What is the SMILES notation for 2-(1-benzothiophen-3-yl)-1-[5-(ethoxymethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]ethanone?
The canonical SMILES for 2-(1-benzothiophen-3-yl)-1-[5-(ethoxymethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]ethanone is CCOCC1CN(C(=O)Cc2csc3ccccc23)Cc2cncn21.
What is the InChIKey of 2-(1-benzothiophen-3-yl)-1-[5-(ethoxymethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]ethanone?
The InChIKey is MCUTVJAVCXXEDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O2S/c1-2-24-11-16-10-21(9-15-8-20-13-22(15)16)19(23)7-14-12-25-18-6-4-3-5-17(14)18/h3-6,8,12-13,16H,2,7,9-11H2,1H3.
What are the key properties of 2-(1-benzothiophen-3-yl)-1-[5-(ethoxymethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]ethanone?
2-(1-benzothiophen-3-yl)-1-[5-(ethoxymethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]ethanone has a molecular weight of 355.46 g/mol, XLogP of 3.26, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-benzothiophen-3-yl)-1-[5-(ethoxymethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]ethanone is sourced from PubChem (CID 131638860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).