(8aR)-7-(4-methoxybenzoyl)-2-(2-thiophen-2-ylethyl)-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-1,3-dione

C20H21N3O4S — CID 7682094

IUPAC(8aR)-7-(4-methoxybenzoyl)-2-(2-thiophen-2-ylethyl)-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-1,3-dione
SMILESCOc1ccc(C(=O)N2CCN3C(=O)N(CCc4cccs4)C(=O)[C@H]3C2)cc1
InChIInChI=1S/C20H21N3O4S/c1-27-15-6-4-14(5-7-15)18(24)21-10-11-22-17(13-21)19(25)23(20(22)26)9-8-16-3-2-12-28-16/h2-7,12,17H,8-11,13H2,1H3/t17-/m1/s1
InChIKeySRICHBGPMAOZQV-QGZVFWFLSA-N
MW399.47 g/mol
LogP2.09
Rot. Bonds5

About (8aR)-7-(4-methoxybenzoyl)-2-(2-thiophen-2-ylethyl)-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-1,3-dione

(8aR)-7-(4-methoxybenzoyl)-2-(2-thiophen-2-ylethyl)-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-1,3-dione (PubChem CID 7682094) has the molecular formula C20H21N3O4S and a molecular weight of 399.47 g/mol. Its IUPAC name is (8aR)-7-(4-methoxybenzoyl)-2-(2-thiophen-2-ylethyl)-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-1,3-dione.

Molecular Properties

Compound Name(8aR)-7-(4-methoxybenzoyl)-2-(2-thiophen-2-ylethyl)-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-1,3-dione
PubChem CID7682094
Molecular FormulaC20H21N3O4S
Molecular Weight399.47 g/mol
Exact Mass399.13
IUPAC Name(8aR)-7-(4-methoxybenzoyl)-2-(2-thiophen-2-ylethyl)-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-1,3-dione
SMILESCOc1ccc(C(=O)N2CCN3C(=O)N(CCc4cccs4)C(=O)[C@H]3C2)cc1
InChIInChI=1S/C20H21N3O4S/c1-27-15-6-4-14(5-7-15)18(24)21-10-11-22-17(13-21)19(25)23(20(22)26)9-8-16-3-2-12-28-16/h2-7,12,17H,8-11,13H2,1H3/t17-/m1/s1
InChIKeySRICHBGPMAOZQV-QGZVFWFLSA-N
XLogP2.09
TPSA70.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.47
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}

Analyze (8aR)-7-(4-methoxybenzoyl)-2-(2-thiophen-2-ylethyl)-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-1,3-dione 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

7-(2-methoxyacetyl)-2-(2-thiophen-2-ylethyl)-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-1,3-dione
CID 78524222
(8aR)-7-(cyclohexanecarbonyl)-2-(2-thiophen-2-ylethyl)-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-1,3-dione
CID 7682588
(5S)-5-[1-(4-methoxybenzoyl)piperidin-4-yl]-5-propyl-3-(2-thiophen-2-ylethyl)imidazolidine-2,4-dione
CID 42373156
(7R,9aR)-7-(hydroxymethyl)-2-(4-methoxybenzoyl)-1,3,4,7,8,9a-hexahydropyrazino[1,2-a]pyrazine-6,9-dione
CID 126461749
(7S,9aR)-2-(4-chlorobenzoyl)-7-(hydroxymethyl)-8-methyl-3,4,7,9a-tetrahydro-1H-pyrazino[1,2-a]pyrazine-6,9-dione
CID 126461826
(8aR)-7-[4-(3,4-difluorophenoxy)benzoyl]-2-ethyl-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-1,3-dione
CID 96530102
(4-methoxyphenyl)-[4-(thiophene-2-carbonyl)piperazin-1-yl]methanone
CID 717242
7-benzoyl-2-benzyl-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-1,3-dione
CID 78524207
(3S,4R,9R)-11-(4-methoxybenzoyl)-4-prop-2-enoxy-1,7,11-triazatricyclo[7.4.0.03,7]tridecane-2,8-dione
CID 11887551
(7S,9aR)-2-[4-(dimethylamino)benzoyl]-7-(thiophen-2-ylmethyl)-1,3,4,7,8,9a-hexahydropyrazino[1,2-a]pyrazine-6,9-dione
CID 7051957
2-ethyl-7-(3-phenylthiophene-2-carbonyl)-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-1,3-dione
CID 139010342
3-[4-(4-methoxybenzoyl)piperazin-1-yl]-1-methylpyrrolidin-2-one
CID 91925833

Frequently Asked Questions

What is the IUPAC name of (8aR)-7-(4-methoxybenzoyl)-2-(2-thiophen-2-ylethyl)-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-1,3-dione?
The IUPAC name of (8aR)-7-(4-methoxybenzoyl)-2-(2-thiophen-2-ylethyl)-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-1,3-dione (CID 7682094) is (8aR)-7-(4-methoxybenzoyl)-2-(2-thiophen-2-ylethyl)-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-1,3-dione.
What is the SMILES notation for (8aR)-7-(4-methoxybenzoyl)-2-(2-thiophen-2-ylethyl)-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-1,3-dione?
The canonical SMILES for (8aR)-7-(4-methoxybenzoyl)-2-(2-thiophen-2-ylethyl)-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-1,3-dione is COc1ccc(C(=O)N2CCN3C(=O)N(CCc4cccs4)C(=O)[C@H]3C2)cc1.
What is the InChIKey of (8aR)-7-(4-methoxybenzoyl)-2-(2-thiophen-2-ylethyl)-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-1,3-dione?
The InChIKey is SRICHBGPMAOZQV-QGZVFWFLSA-N. The full InChI is InChI=1S/C20H21N3O4S/c1-27-15-6-4-14(5-7-15)18(24)21-10-11-22-17(13-21)19(25)23(20(22)26)9-8-16-3-2-12-28-16/h2-7,12,17H,8-11,13H2,1H3/t17-/m1/s1.
What are the key properties of (8aR)-7-(4-methoxybenzoyl)-2-(2-thiophen-2-ylethyl)-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-1,3-dione?
(8aR)-7-(4-methoxybenzoyl)-2-(2-thiophen-2-ylethyl)-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-1,3-dione has a molecular weight of 399.47 g/mol, XLogP of 2.09, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (8aR)-7-(4-methoxybenzoyl)-2-(2-thiophen-2-ylethyl)-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-1,3-dione is sourced from PubChem (CID 7682094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).