(8aS)-7-[4-(dimethylamino)benzoyl]-2-[(1S)-1-phenylethyl]-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-1,3-dione

C23H26N4O3 — CID 7663055

IUPAC(8aS)-7-[4-(dimethylamino)benzoyl]-2-[(1S)-1-phenylethyl]-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-1,3-dione
SMILESC[C@@H](c1ccccc1)N1C(=O)[C@@H]2CN(C(=O)c3ccc(N(C)C)cc3)CCN2C1=O
InChIInChI=1S/C23H26N4O3/c1-16(17-7-5-4-6-8-17)27-22(29)20-15-25(13-14-26(20)23(27)30)21(28)18-9-11-19(12-10-18)24(2)3/h4-12,16,20H,13-15H2,1-3H3/t16-,20-/m0/s1
InChIKeyIILFRRUNDGJNGJ-JXFKEZNVSA-N
MW406.49 g/mol
LogP2.60
Rot. Bonds4

About (8aS)-7-[4-(dimethylamino)benzoyl]-2-[(1S)-1-phenylethyl]-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-1,3-dione

(8aS)-7-[4-(dimethylamino)benzoyl]-2-[(1S)-1-phenylethyl]-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-1,3-dione (PubChem CID 7663055) has the molecular formula C23H26N4O3 and a molecular weight of 406.49 g/mol. Its IUPAC name is (8aS)-7-[4-(dimethylamino)benzoyl]-2-[(1S)-1-phenylethyl]-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-1,3-dione.

Molecular Properties

Compound Name(8aS)-7-[4-(dimethylamino)benzoyl]-2-[(1S)-1-phenylethyl]-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-1,3-dione
PubChem CID7663055
Molecular FormulaC23H26N4O3
Molecular Weight406.49 g/mol
Exact Mass406.20
IUPAC Name(8aS)-7-[4-(dimethylamino)benzoyl]-2-[(1S)-1-phenylethyl]-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-1,3-dione
SMILESC[C@@H](c1ccccc1)N1C(=O)[C@@H]2CN(C(=O)c3ccc(N(C)C)cc3)CCN2C1=O
InChIInChI=1S/C23H26N4O3/c1-16(17-7-5-4-6-8-17)27-22(29)20-15-25(13-14-26(20)23(27)30)21(28)18-9-11-19(12-10-18)24(2)3/h4-12,16,20H,13-15H2,1-3H3/t16-,20-/m0/s1
InChIKeyIILFRRUNDGJNGJ-JXFKEZNVSA-N
XLogP2.60
TPSA64.17 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.49
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (8aS)-7-[4-(dimethylamino)benzoyl]-2-[(1S)-1-phenylethyl]-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-(3,3-dimethylbutanoyl)-2-(1-phenylethyl)-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-1,3-dione
CID 78524192
4-[(8aS)-1,3-dioxo-2-[(1R)-1-phenylethyl]-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazin-7-yl]-4-oxobutanoate
CID 7682068
(8aR)-7-(3-fluorobenzoyl)-2-propan-2-yl-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-1,3-dione
CID 163147061
(8aR)-2-(4-acetylphenyl)-7-benzoyl-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-1,3-dione
CID 163175009
2-[1-[4-[4-(dimethylamino)benzoyl]piperazin-1-yl]-1-oxopropan-2-yl]isoindole-1,3-dione
CID 108535007
(8aS)-2-[(1R)-1-phenylethyl]-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyrazin-7-ium-1,3-dione
CID 7682058
7-benzoyl-2-benzyl-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-1,3-dione
CID 78524207
(8aR)-1,3-dioxo-N,2-di(propan-2-yl)-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-7-carboxamide
CID 7161700
(3S,9R)-11-benzoyl-1,7,11-triazatricyclo[7.4.0.03,7]tridecane-2,8-dione
CID 56856747
[4-(dimethylamino)phenyl]-[(3S)-3-methylpyrrolidin-1-yl]methanone
CID 143704311
(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
[4-(dimethylamino)phenyl]-[(3R)-3-hydroxypyrrolidin-1-yl]methanone
CID 66261919

Frequently Asked Questions

What is the IUPAC name of (8aS)-7-[4-(dimethylamino)benzoyl]-2-[(1S)-1-phenylethyl]-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-1,3-dione?
The IUPAC name of (8aS)-7-[4-(dimethylamino)benzoyl]-2-[(1S)-1-phenylethyl]-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-1,3-dione (CID 7663055) is (8aS)-7-[4-(dimethylamino)benzoyl]-2-[(1S)-1-phenylethyl]-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-1,3-dione.
What is the SMILES notation for (8aS)-7-[4-(dimethylamino)benzoyl]-2-[(1S)-1-phenylethyl]-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-1,3-dione?
The canonical SMILES for (8aS)-7-[4-(dimethylamino)benzoyl]-2-[(1S)-1-phenylethyl]-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-1,3-dione is C[C@@H](c1ccccc1)N1C(=O)[C@@H]2CN(C(=O)c3ccc(N(C)C)cc3)CCN2C1=O.
What is the InChIKey of (8aS)-7-[4-(dimethylamino)benzoyl]-2-[(1S)-1-phenylethyl]-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-1,3-dione?
The InChIKey is IILFRRUNDGJNGJ-JXFKEZNVSA-N. The full InChI is InChI=1S/C23H26N4O3/c1-16(17-7-5-4-6-8-17)27-22(29)20-15-25(13-14-26(20)23(27)30)21(28)18-9-11-19(12-10-18)24(2)3/h4-12,16,20H,13-15H2,1-3H3/t16-,20-/m0/s1.
What are the key properties of (8aS)-7-[4-(dimethylamino)benzoyl]-2-[(1S)-1-phenylethyl]-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-1,3-dione?
(8aS)-7-[4-(dimethylamino)benzoyl]-2-[(1S)-1-phenylethyl]-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-1,3-dione has a molecular weight of 406.49 g/mol, XLogP of 2.60, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (8aS)-7-[4-(dimethylamino)benzoyl]-2-[(1S)-1-phenylethyl]-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-1,3-dione is sourced from PubChem (CID 7663055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).