2-(cyclohexen-1-yl)-1-[5-[2-(diethylamino)ethyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]ethanone;2,2,2-trifluoroacetic acid

C22H33F3N4O3 — CID 155863702

IUPAC2-(cyclohexen-1-yl)-1-[5-[2-(diethylamino)ethyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]ethanone;2,2,2-trifluoroacetic acid
SMILESCCN(CC)CCC1CN(C(=O)CC2=CCCCC2)Cc2cncn21.O=C(O)C(F)(F)F
InChIInChI=1S/C20H32N4O.C2HF3O2/c1-3-22(4-2)11-10-18-14-23(15-19-13-21-16-24(18)19)20(25)12-17-8-6-5-7-9-17;3-2(4,5)1(6)7/h8,13,16,18H,3-7,9-12,14-15H2,1-2H3;(H,6,7)
InChIKeyQRJRNBGTGDQLRB-UHFFFAOYSA-N
MW458.53 g/mol
LogP4.02
Rot. Bonds7

About 2-(cyclohexen-1-yl)-1-[5-[2-(diethylamino)ethyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]ethanone;2,2,2-trifluoroacetic acid

2-(cyclohexen-1-yl)-1-[5-[2-(diethylamino)ethyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]ethanone;2,2,2-trifluoroacetic acid (PubChem CID 155863702) has the molecular formula C22H33F3N4O3 and a molecular weight of 458.53 g/mol. Its IUPAC name is 2-(cyclohexen-1-yl)-1-[5-[2-(diethylamino)ethyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]ethanone;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name2-(cyclohexen-1-yl)-1-[5-[2-(diethylamino)ethyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]ethanone;2,2,2-trifluoroacetic acid
PubChem CID155863702
Molecular FormulaC22H33F3N4O3
Molecular Weight458.53 g/mol
Exact Mass458.25
IUPAC Name2-(cyclohexen-1-yl)-1-[5-[2-(diethylamino)ethyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]ethanone;2,2,2-trifluoroacetic acid
SMILESCCN(CC)CCC1CN(C(=O)CC2=CCCCC2)Cc2cncn21.O=C(O)C(F)(F)F
InChIInChI=1S/C20H32N4O.C2HF3O2/c1-3-22(4-2)11-10-18-14-23(15-19-13-21-16-24(18)19)20(25)12-17-8-6-5-7-9-17;3-2(4,5)1(6)7/h8,13,16,18H,3-7,9-12,14-15H2,1-2H3;(H,6,7)
InChIKeyQRJRNBGTGDQLRB-UHFFFAOYSA-N
XLogP4.02
TPSA78.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.53
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-(cyclohexen-1-yl)-1-[5-[2-(diethylamino)ethyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]ethanone;2,2,2-trifluoroacetic acid 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 2-(cyclohexen-1-yl)-1-[5-[2-(diethylamino)ethyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]ethanone;2,2,2-trifluoroacetic acid?
The IUPAC name of 2-(cyclohexen-1-yl)-1-[5-[2-(diethylamino)ethyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]ethanone;2,2,2-trifluoroacetic acid (CID 155863702) is 2-(cyclohexen-1-yl)-1-[5-[2-(diethylamino)ethyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]ethanone;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 2-(cyclohexen-1-yl)-1-[5-[2-(diethylamino)ethyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]ethanone;2,2,2-trifluoroacetic acid?
The canonical SMILES for 2-(cyclohexen-1-yl)-1-[5-[2-(diethylamino)ethyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]ethanone;2,2,2-trifluoroacetic acid is CCN(CC)CCC1CN(C(=O)CC2=CCCCC2)Cc2cncn21.O=C(O)C(F)(F)F.
What is the InChIKey of 2-(cyclohexen-1-yl)-1-[5-[2-(diethylamino)ethyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]ethanone;2,2,2-trifluoroacetic acid?
The InChIKey is QRJRNBGTGDQLRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N4O.C2HF3O2/c1-3-22(4-2)11-10-18-14-23(15-19-13-21-16-24(18)19)20(25)12-17-8-6-5-7-9-17;3-2(4,5)1(6)7/h8,13,16,18H,3-7,9-12,14-15H2,1-2H3;(H,6,7).
What are the key properties of 2-(cyclohexen-1-yl)-1-[5-[2-(diethylamino)ethyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]ethanone;2,2,2-trifluoroacetic acid?
2-(cyclohexen-1-yl)-1-[5-[2-(diethylamino)ethyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]ethanone;2,2,2-trifluoroacetic acid has a molecular weight of 458.53 g/mol, XLogP of 4.02, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclohexen-1-yl)-1-[5-[2-(diethylamino)ethyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]ethanone;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 155863702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).