cyclopent-3-en-1-yl-[2-(diethylaminomethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methanone;2,2,2-trifluoroacetic acid

C19H27F3N4O3 — CID 155832197

About cyclopent-3-en-1-yl-[2-(diethylaminomethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methanone;2,2,2-trifluoroacetic acid

cyclopent-3-en-1-yl-[2-(diethylaminomethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methanone;2,2,2-trifluoroacetic acid (PubChem CID 155832197) has the molecular formula C19H27F3N4O3 and a molecular weight of 416.44 g/mol. Its IUPAC name is cyclopent-3-en-1-yl-[2-(diethylaminomethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methanone;2,2,2-trifluoroacetic acid.

Molecular Properties

• Compound Name: cyclopent-3-en-1-yl-[2-(diethylaminomethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methanone;2,2,2-trifluoroacetic acid
• PubChem CID: 155832197
• Molecular Formula: C19H27F3N4O3
• Molecular Weight: 416.44 g/mol
• Exact Mass: 416.20
• IUPAC Name: cyclopent-3-en-1-yl-[2-(diethylaminomethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methanone;2,2,2-trifluoroacetic acid
• SMILES: CCN(CC)Cc1cn2c(n1)CN(C(=O)C1CC=CC1)CC2.O=C(O)C(F)(F)F
• InChI: InChI=1S/C17H26N4O.C2HF3O2/c1-3-19(4-2)11-15-12-20-9-10-21(13-16(20)18-15)17(22)14-7-5-6-8-14;3-2(4,5)1(6)7/h5-6,12,14H,3-4,7-11,13H2,1-2H3;(H,6,7)
• InChIKey: SZQSMQCEOMSZST-UHFFFAOYSA-N
• XLogP: 2.67
• TPSA: 78.67 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	416.44
LogP ≤ 5	2.67
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of cyclopent-3-en-1-yl-[2-(diethylaminomethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methanone;2,2,2-trifluoroacetic acid?

The IUPAC name of cyclopent-3-en-1-yl-[2-(diethylaminomethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methanone;2,2,2-trifluoroacetic acid (CID 155832197) is cyclopent-3-en-1-yl-[2-(diethylaminomethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methanone;2,2,2-trifluoroacetic acid.

What is the SMILES notation for cyclopent-3-en-1-yl-[2-(diethylaminomethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methanone;2,2,2-trifluoroacetic acid?

The canonical SMILES for cyclopent-3-en-1-yl-[2-(diethylaminomethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methanone;2,2,2-trifluoroacetic acid is CCN(CC)Cc1cn2c(n1)CN(C(=O)C1CC=CC1)CC2.O=C(O)C(F)(F)F.

What is the InChIKey of cyclopent-3-en-1-yl-[2-(diethylaminomethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methanone;2,2,2-trifluoroacetic acid?

The InChIKey is SZQSMQCEOMSZST-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4O.C2HF3O2/c1-3-19(4-2)11-15-12-20-9-10-21(13-16(20)18-15)17(22)14-7-5-6-8-14;3-2(4,5)1(6)7/h5-6,12,14H,3-4,7-11,13H2,1-2H3;(H,6,7).

What are the key properties of cyclopent-3-en-1-yl-[2-(diethylaminomethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methanone;2,2,2-trifluoroacetic acid?

cyclopent-3-en-1-yl-[2-(diethylaminomethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methanone;2,2,2-trifluoroacetic acid has a molecular weight of 416.44 g/mol, XLogP of 2.67, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for cyclopent-3-en-1-yl-[2-(diethylaminomethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methanone;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 155832197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).