N-(2-methoxyethyl)-2-[8-methyl-7-(thiophen-3-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]acetamide;2,2,2-trifluoroacetic acid

C19H25F3N4O4S — CID 155859412

About N-(2-methoxyethyl)-2-[8-methyl-7-(thiophen-3-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]acetamide;2,2,2-trifluoroacetic acid

N-(2-methoxyethyl)-2-[8-methyl-7-(thiophen-3-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]acetamide;2,2,2-trifluoroacetic acid (PubChem CID 155859412) has the molecular formula C19H25F3N4O4S and a molecular weight of 462.49 g/mol. Its IUPAC name is N-(2-methoxyethyl)-2-[8-methyl-7-(thiophen-3-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]acetamide;2,2,2-trifluoroacetic acid.

Molecular Properties

• Compound Name: N-(2-methoxyethyl)-2-[8-methyl-7-(thiophen-3-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]acetamide;2,2,2-trifluoroacetic acid
• PubChem CID: 155859412
• Molecular Formula: C19H25F3N4O4S
• Molecular Weight: 462.49 g/mol
• Exact Mass: 462.15
• IUPAC Name: N-(2-methoxyethyl)-2-[8-methyl-7-(thiophen-3-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]acetamide;2,2,2-trifluoroacetic acid
• SMILES: COCCNC(=O)Cc1cn2c(n1)C(C)N(Cc1ccsc1)CC2.O=C(O)C(F)(F)F
• InChI: InChI=1S/C17H24N4O2S.C2HF3O2/c1-13-17-19-15(9-16(22)18-4-7-23-2)11-21(17)6-5-20(13)10-14-3-8-24-12-14;3-2(4,5)1(6)7/h3,8,11-13H,4-7,9-10H2,1-2H3,(H,18,22);(H,6,7)
• InChIKey: VJVQNFIYHXKFMI-UHFFFAOYSA-N
• XLogP: 2.46
• TPSA: 96.69 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	462.49
LogP ≤ 5	2.46
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-2-[8-methyl-7-(thiophen-3-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]acetamide;2,2,2-trifluoroacetic acid?

The IUPAC name of N-(2-methoxyethyl)-2-[8-methyl-7-(thiophen-3-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]acetamide;2,2,2-trifluoroacetic acid (CID 155859412) is N-(2-methoxyethyl)-2-[8-methyl-7-(thiophen-3-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]acetamide;2,2,2-trifluoroacetic acid.

What is the SMILES notation for N-(2-methoxyethyl)-2-[8-methyl-7-(thiophen-3-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]acetamide;2,2,2-trifluoroacetic acid?

The canonical SMILES for N-(2-methoxyethyl)-2-[8-methyl-7-(thiophen-3-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]acetamide;2,2,2-trifluoroacetic acid is COCCNC(=O)Cc1cn2c(n1)C(C)N(Cc1ccsc1)CC2.O=C(O)C(F)(F)F.

What is the InChIKey of N-(2-methoxyethyl)-2-[8-methyl-7-(thiophen-3-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]acetamide;2,2,2-trifluoroacetic acid?

The InChIKey is VJVQNFIYHXKFMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O2S.C2HF3O2/c1-13-17-19-15(9-16(22)18-4-7-23-2)11-21(17)6-5-20(13)10-14-3-8-24-12-14;3-2(4,5)1(6)7/h3,8,11-13H,4-7,9-10H2,1-2H3,(H,18,22);(H,6,7).

What are the key properties of N-(2-methoxyethyl)-2-[8-methyl-7-(thiophen-3-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]acetamide;2,2,2-trifluoroacetic acid?

N-(2-methoxyethyl)-2-[8-methyl-7-(thiophen-3-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]acetamide;2,2,2-trifluoroacetic acid has a molecular weight of 462.49 g/mol, XLogP of 2.46, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-(2-methoxyethyl)-2-[8-methyl-7-(thiophen-3-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]acetamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 155859412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).