1-benzothiophen-2-yl-[(5S)-5-(methoxymethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]methanone

C17H17N3O2S — CID 124795588

IUPAC1-benzothiophen-2-yl-[(5S)-5-(methoxymethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]methanone
SMILESCOC[C@@H]1CN(C(=O)c2cc3ccccc3s2)Cc2cncn21
InChIInChI=1S/C17H17N3O2S/c1-22-10-14-9-19(8-13-7-18-11-20(13)14)17(21)16-6-12-4-2-3-5-15(12)23-16/h2-7,11,14H,8-10H2,1H3/t14-/m0/s1
InChIKeyQDAZSPDEWJGGLY-AWEZNQCLSA-N
MW327.41 g/mol
LogP2.94
Rot. Bonds3

About 1-benzothiophen-2-yl-[(5S)-5-(methoxymethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]methanone

1-benzothiophen-2-yl-[(5S)-5-(methoxymethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]methanone (PubChem CID 124795588) has the molecular formula C17H17N3O2S and a molecular weight of 327.41 g/mol. Its IUPAC name is 1-benzothiophen-2-yl-[(5S)-5-(methoxymethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]methanone.

Molecular Properties

Compound Name1-benzothiophen-2-yl-[(5S)-5-(methoxymethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]methanone
PubChem CID124795588
Molecular FormulaC17H17N3O2S
Molecular Weight327.41 g/mol
Exact Mass327.10
IUPAC Name1-benzothiophen-2-yl-[(5S)-5-(methoxymethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]methanone
SMILESCOC[C@@H]1CN(C(=O)c2cc3ccccc3s2)Cc2cncn21
InChIInChI=1S/C17H17N3O2S/c1-22-10-14-9-19(8-13-7-18-11-20(13)14)17(21)16-6-12-4-2-3-5-15(12)23-16/h2-7,11,14H,8-10H2,1H3/t14-/m0/s1
InChIKeyQDAZSPDEWJGGLY-AWEZNQCLSA-N
XLogP2.94
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.41
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-benzothiophen-2-yl-[(5R)-5-[(dimethylamino)methyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]methanone
CID 124819064
1-benzothiophen-2-yl-[(7R)-7-(methoxymethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methanone
CID 124789016
1-benzothiophen-2-yl-[(3R,4S)-3,4-dihydroxypyrrolidin-1-yl]methanone
CID 79403286
(3-methylthiophen-2-yl)-[(5S)-5-(pyridin-2-yloxymethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]methanone
CID 124912265
(5-methylthiophen-2-yl)-[(5S)-5-(oxan-4-ylmethoxymethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]methanone
CID 124788803
2-(1-benzothiophen-3-yl)-1-[5-(ethoxymethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]ethanone
CID 131638860
(4-fluoro-2-methylphenyl)-[(5R)-5-(pyrimidin-2-yloxymethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]methanone
CID 124789315
1-(1-benzothiophene-2-carbonyl)-4-methoxypyrrolidine-2-carboxylic acid
CID 43172308
2-methylsulfonyl-1-[(5R)-5-(pyridin-2-yloxymethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]ethanone
CID 124783000
[(5R)-5-(cyclopentylmethoxymethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]-pyridazin-4-ylmethanone
CID 124794206
1-benzothiophen-2-yl-[4-(methylaminomethyl)piperidin-1-yl]methanone
CID 63251070
1-benzothiophen-2-yl-(4-pyridin-4-yloxypiperidin-1-yl)methanone
CID 91815946

Frequently Asked Questions

What is the IUPAC name of 1-benzothiophen-2-yl-[(5S)-5-(methoxymethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]methanone?
The IUPAC name of 1-benzothiophen-2-yl-[(5S)-5-(methoxymethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]methanone (CID 124795588) is 1-benzothiophen-2-yl-[(5S)-5-(methoxymethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]methanone.
What is the SMILES notation for 1-benzothiophen-2-yl-[(5S)-5-(methoxymethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]methanone?
The canonical SMILES for 1-benzothiophen-2-yl-[(5S)-5-(methoxymethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]methanone is COC[C@@H]1CN(C(=O)c2cc3ccccc3s2)Cc2cncn21.
What is the InChIKey of 1-benzothiophen-2-yl-[(5S)-5-(methoxymethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]methanone?
The InChIKey is QDAZSPDEWJGGLY-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H17N3O2S/c1-22-10-14-9-19(8-13-7-18-11-20(13)14)17(21)16-6-12-4-2-3-5-15(12)23-16/h2-7,11,14H,8-10H2,1H3/t14-/m0/s1.
What are the key properties of 1-benzothiophen-2-yl-[(5S)-5-(methoxymethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]methanone?
1-benzothiophen-2-yl-[(5S)-5-(methoxymethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]methanone has a molecular weight of 327.41 g/mol, XLogP of 2.94, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzothiophen-2-yl-[(5S)-5-(methoxymethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]methanone is sourced from PubChem (CID 124795588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).