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

C20H27F3N4O3S — CID 155832006

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

2-[8-methyl-7-[(3-methylthiophen-2-yl)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]-N-propan-2-ylacetamide;2,2,2-trifluoroacetic acid (PubChem CID 155832006) has the molecular formula C20H27F3N4O3S and a molecular weight of 460.52 g/mol. Its IUPAC name is 2-[8-methyl-7-[(3-methylthiophen-2-yl)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]-N-propan-2-ylacetamide;2,2,2-trifluoroacetic acid.

Molecular Properties

• Compound Name: 2-[8-methyl-7-[(3-methylthiophen-2-yl)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]-N-propan-2-ylacetamide;2,2,2-trifluoroacetic acid
• PubChem CID: 155832006
• Molecular Formula: C20H27F3N4O3S
• Molecular Weight: 460.52 g/mol
• Exact Mass: 460.18
• IUPAC Name: 2-[8-methyl-7-[(3-methylthiophen-2-yl)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]-N-propan-2-ylacetamide;2,2,2-trifluoroacetic acid
• SMILES: Cc1ccsc1CN1CCn2cc(CC(=O)NC(C)C)nc2C1C.O=C(O)C(F)(F)F
• InChI: InChI=1S/C18H26N4OS.C2HF3O2/c1-12(2)19-17(23)9-15-10-22-7-6-21(14(4)18(22)20-15)11-16-13(3)5-8-24-16;3-2(4,5)1(6)7/h5,8,10,12,14H,6-7,9,11H2,1-4H3,(H,19,23);(H,6,7)
• InChIKey: QBFDESRZJQJIFY-UHFFFAOYSA-N
• XLogP: 3.53
• TPSA: 87.46 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	460.52
LogP ≤ 5	3.53
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of 2-[8-methyl-7-[(3-methylthiophen-2-yl)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]-N-propan-2-ylacetamide;2,2,2-trifluoroacetic acid (CID 155832006) is 2-[8-methyl-7-[(3-methylthiophen-2-yl)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]-N-propan-2-ylacetamide;2,2,2-trifluoroacetic acid.

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

The canonical SMILES for 2-[8-methyl-7-[(3-methylthiophen-2-yl)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]-N-propan-2-ylacetamide;2,2,2-trifluoroacetic acid is Cc1ccsc1CN1CCn2cc(CC(=O)NC(C)C)nc2C1C.O=C(O)C(F)(F)F.

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

The InChIKey is QBFDESRZJQJIFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4OS.C2HF3O2/c1-12(2)19-17(23)9-15-10-22-7-6-21(14(4)18(22)20-15)11-16-13(3)5-8-24-16;3-2(4,5)1(6)7/h5,8,10,12,14H,6-7,9,11H2,1-4H3,(H,19,23);(H,6,7).

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

2-[8-methyl-7-[(3-methylthiophen-2-yl)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]-N-propan-2-ylacetamide;2,2,2-trifluoroacetic acid has a molecular weight of 460.52 g/mol, XLogP of 3.53, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[8-methyl-7-[(3-methylthiophen-2-yl)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]-N-propan-2-ylacetamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 155832006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).