(8aS)-7-[2-(2,2-difluoroethoxy)ethyl]-2-phenyl-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-1,3-dione

C16H19F2N3O3 — CID 124733091

IUPAC(8aS)-7-[2-(2,2-difluoroethoxy)ethyl]-2-phenyl-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-1,3-dione
SMILESO=C1[C@@H]2CN(CCOCC(F)F)CCN2C(=O)N1c1ccccc1
InChIInChI=1S/C16H19F2N3O3/c17-14(18)11-24-9-8-19-6-7-20-13(10-19)15(22)21(16(20)23)12-4-2-1-3-5-12/h1-5,13-14H,6-11H2/t13-/m0/s1
InChIKeyKFQTXIFRZKOHRN-ZDUSSCGKSA-N
MW339.34 g/mol
LogP1.42
Rot. Bonds6

About (8aS)-7-[2-(2,2-difluoroethoxy)ethyl]-2-phenyl-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-1,3-dione

(8aS)-7-[2-(2,2-difluoroethoxy)ethyl]-2-phenyl-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-1,3-dione (PubChem CID 124733091) has the molecular formula C16H19F2N3O3 and a molecular weight of 339.34 g/mol. Its IUPAC name is (8aS)-7-[2-(2,2-difluoroethoxy)ethyl]-2-phenyl-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-1,3-dione.

Molecular Properties

Compound Name(8aS)-7-[2-(2,2-difluoroethoxy)ethyl]-2-phenyl-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-1,3-dione
PubChem CID124733091
Molecular FormulaC16H19F2N3O3
Molecular Weight339.34 g/mol
Exact Mass339.14
IUPAC Name(8aS)-7-[2-(2,2-difluoroethoxy)ethyl]-2-phenyl-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-1,3-dione
SMILESO=C1[C@@H]2CN(CCOCC(F)F)CCN2C(=O)N1c1ccccc1
InChIInChI=1S/C16H19F2N3O3/c17-14(18)11-24-9-8-19-6-7-20-13(10-19)15(22)21(16(20)23)12-4-2-1-3-5-12/h1-5,13-14H,6-11H2/t13-/m0/s1
InChIKeyKFQTXIFRZKOHRN-ZDUSSCGKSA-N
XLogP1.42
TPSA53.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.34
LogP ≤ 51.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (8aS)-7-[2-(2,2-difluoroethoxy)ethyl]-2-phenyl-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

Frequently Asked Questions

What is the IUPAC name of (8aS)-7-[2-(2,2-difluoroethoxy)ethyl]-2-phenyl-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-1,3-dione?
The IUPAC name of (8aS)-7-[2-(2,2-difluoroethoxy)ethyl]-2-phenyl-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-1,3-dione (CID 124733091) is (8aS)-7-[2-(2,2-difluoroethoxy)ethyl]-2-phenyl-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-1,3-dione.
What is the SMILES notation for (8aS)-7-[2-(2,2-difluoroethoxy)ethyl]-2-phenyl-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-1,3-dione?
The canonical SMILES for (8aS)-7-[2-(2,2-difluoroethoxy)ethyl]-2-phenyl-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-1,3-dione is O=C1[C@@H]2CN(CCOCC(F)F)CCN2C(=O)N1c1ccccc1.
What is the InChIKey of (8aS)-7-[2-(2,2-difluoroethoxy)ethyl]-2-phenyl-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-1,3-dione?
The InChIKey is KFQTXIFRZKOHRN-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H19F2N3O3/c17-14(18)11-24-9-8-19-6-7-20-13(10-19)15(22)21(16(20)23)12-4-2-1-3-5-12/h1-5,13-14H,6-11H2/t13-/m0/s1.
What are the key properties of (8aS)-7-[2-(2,2-difluoroethoxy)ethyl]-2-phenyl-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-1,3-dione?
(8aS)-7-[2-(2,2-difluoroethoxy)ethyl]-2-phenyl-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-1,3-dione has a molecular weight of 339.34 g/mol, XLogP of 1.42, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (8aS)-7-[2-(2,2-difluoroethoxy)ethyl]-2-phenyl-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-1,3-dione is sourced from PubChem (CID 124733091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).