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

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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).