N-(2-methoxyethyl)-8-methyl-7-[(3-methylthiophen-2-yl)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxamide;2,2,2-trifluoroacetic acid

C19H25F3N4O4S — CID 155860560

About N-(2-methoxyethyl)-8-methyl-7-[(3-methylthiophen-2-yl)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxamide;2,2,2-trifluoroacetic acid

N-(2-methoxyethyl)-8-methyl-7-[(3-methylthiophen-2-yl)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxamide;2,2,2-trifluoroacetic acid (PubChem CID 155860560) has the molecular formula C19H25F3N4O4S and a molecular weight of 462.49 g/mol. Its IUPAC name is N-(2-methoxyethyl)-8-methyl-7-[(3-methylthiophen-2-yl)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxamide;2,2,2-trifluoroacetic acid.

Molecular Properties

• Compound Name: N-(2-methoxyethyl)-8-methyl-7-[(3-methylthiophen-2-yl)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxamide;2,2,2-trifluoroacetic acid
• PubChem CID: 155860560
• Molecular Formula: C19H25F3N4O4S
• Molecular Weight: 462.49 g/mol
• Exact Mass: 462.15
• IUPAC Name: N-(2-methoxyethyl)-8-methyl-7-[(3-methylthiophen-2-yl)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxamide;2,2,2-trifluoroacetic acid
• SMILES: COCCNC(=O)c1cn2c(n1)C(C)N(Cc1sccc1C)CC2.O=C(O)C(F)(F)F
• InChI: InChI=1S/C17H24N4O2S.C2HF3O2/c1-12-4-9-24-15(12)11-20-6-7-21-10-14(19-16(21)13(20)2)17(22)18-5-8-23-3;3-2(4,5)1(6)7/h4,9-10,13H,5-8,11H2,1-3H3,(H,18,22);(H,6,7)
• InChIKey: FWZUZCNYZKBPFE-UHFFFAOYSA-N
• XLogP: 2.84
• TPSA: 96.69 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	462.49
LogP ≤ 5	2.84
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)-8-methyl-7-[(3-methylthiophen-2-yl)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxamide;2,2,2-trifluoroacetic acid?

The IUPAC name of N-(2-methoxyethyl)-8-methyl-7-[(3-methylthiophen-2-yl)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxamide;2,2,2-trifluoroacetic acid (CID 155860560) is N-(2-methoxyethyl)-8-methyl-7-[(3-methylthiophen-2-yl)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxamide;2,2,2-trifluoroacetic acid.

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

The canonical SMILES for N-(2-methoxyethyl)-8-methyl-7-[(3-methylthiophen-2-yl)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxamide;2,2,2-trifluoroacetic acid is COCCNC(=O)c1cn2c(n1)C(C)N(Cc1sccc1C)CC2.O=C(O)C(F)(F)F.

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

The InChIKey is FWZUZCNYZKBPFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O2S.C2HF3O2/c1-12-4-9-24-15(12)11-20-6-7-21-10-14(19-16(21)13(20)2)17(22)18-5-8-23-3;3-2(4,5)1(6)7/h4,9-10,13H,5-8,11H2,1-3H3,(H,18,22);(H,6,7).

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

N-(2-methoxyethyl)-8-methyl-7-[(3-methylthiophen-2-yl)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxamide;2,2,2-trifluoroacetic acid has a molecular weight of 462.49 g/mol, XLogP of 2.84, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-(2-methoxyethyl)-8-methyl-7-[(3-methylthiophen-2-yl)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 155860560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).