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

C18H20N4OS — CID 124819064

IUPAC1-benzothiophen-2-yl-[(5R)-5-[(dimethylamino)methyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]methanone
SMILESCN(C)C[C@@H]1CN(C(=O)c2cc3ccccc3s2)Cc2cncn21
InChIInChI=1S/C18H20N4OS/c1-20(2)9-15-11-21(10-14-8-19-12-22(14)15)18(23)17-7-13-5-3-4-6-16(13)24-17/h3-8,12,15H,9-11H2,1-2H3/t15-/m1/s1
InChIKeySIUKPUFXHINZGM-OAHLLOKOSA-N
MW340.45 g/mol
LogP2.86
Rot. Bonds3

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

1-benzothiophen-2-yl-[(5R)-5-[(dimethylamino)methyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]methanone (PubChem CID 124819064) has the molecular formula C18H20N4OS and a molecular weight of 340.45 g/mol. Its IUPAC name is 1-benzothiophen-2-yl-[(5R)-5-[(dimethylamino)methyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]methanone.

Molecular Properties

Compound Name1-benzothiophen-2-yl-[(5R)-5-[(dimethylamino)methyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]methanone
PubChem CID124819064
Molecular FormulaC18H20N4OS
Molecular Weight340.45 g/mol
Exact Mass340.14
IUPAC Name1-benzothiophen-2-yl-[(5R)-5-[(dimethylamino)methyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]methanone
SMILESCN(C)C[C@@H]1CN(C(=O)c2cc3ccccc3s2)Cc2cncn21
InChIInChI=1S/C18H20N4OS/c1-20(2)9-15-11-21(10-14-8-19-12-22(14)15)18(23)17-7-13-5-3-4-6-16(13)24-17/h3-8,12,15H,9-11H2,1-2H3/t15-/m1/s1
InChIKeySIUKPUFXHINZGM-OAHLLOKOSA-N
XLogP2.86
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.45
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-benzothiophen-2-yl-[(5R)-5-[(dimethylamino)methyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-benzothiophen-2-yl-[(5S)-5-(methoxymethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]methanone
CID 124795588
(5-cyclopropyl-1,2-oxazol-3-yl)-[(5S)-5-[(dimethylamino)methyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]methanone
CID 124820262
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
1-(1-benzothiophene-2-carbonyl)-N,N-dimethylpiperidine-4-carboxamide
CID 78804876
[(5S)-5-[2-(dimethylamino)ethyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]-(1-methylindol-3-yl)methanone
CID 124813104
(3-methylthiophen-2-yl)-[(5S)-5-(pyridin-2-yloxymethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]methanone
CID 124912265
1-benzothiophen-2-yl-(4-hydroxypiperidin-1-yl)methanone
CID 43393418
[(3R)-3-aminopyrrolidin-1-yl]-(1-benzothiophen-2-yl)methanone;hydrochloride
CID 119409997
1-benzothiophen-2-yl-[4-(methylaminomethyl)piperidin-1-yl]methanone
CID 63251070
1-benzothiophen-2-yl-(4-bromo-3-methylpiperidin-1-yl)methanone
CID 114683536
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-[(5R)-5-[(dimethylamino)methyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]methanone?
The IUPAC name of 1-benzothiophen-2-yl-[(5R)-5-[(dimethylamino)methyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]methanone (CID 124819064) is 1-benzothiophen-2-yl-[(5R)-5-[(dimethylamino)methyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]methanone.
What is the SMILES notation for 1-benzothiophen-2-yl-[(5R)-5-[(dimethylamino)methyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]methanone?
The canonical SMILES for 1-benzothiophen-2-yl-[(5R)-5-[(dimethylamino)methyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]methanone is CN(C)C[C@@H]1CN(C(=O)c2cc3ccccc3s2)Cc2cncn21.
What is the InChIKey of 1-benzothiophen-2-yl-[(5R)-5-[(dimethylamino)methyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]methanone?
The InChIKey is SIUKPUFXHINZGM-OAHLLOKOSA-N. The full InChI is InChI=1S/C18H20N4OS/c1-20(2)9-15-11-21(10-14-8-19-12-22(14)15)18(23)17-7-13-5-3-4-6-16(13)24-17/h3-8,12,15H,9-11H2,1-2H3/t15-/m1/s1.
What are the key properties of 1-benzothiophen-2-yl-[(5R)-5-[(dimethylamino)methyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]methanone?
1-benzothiophen-2-yl-[(5R)-5-[(dimethylamino)methyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]methanone has a molecular weight of 340.45 g/mol, XLogP of 2.86, 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-[(5R)-5-[(dimethylamino)methyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]methanone is sourced from PubChem (CID 124819064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).