8-methyl-3-[(4-methylpiperazin-1-yl)methyl]-7-[(5-methylthiophen-2-yl)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine;tris(2,2,2-trifluoroacetic acid)

C25H32F9N5O6S — CID 118747076

About 8-methyl-3-[(4-methylpiperazin-1-yl)methyl]-7-[(5-methylthiophen-2-yl)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine;tris(2,2,2-trifluoroacetic acid)

8-methyl-3-[(4-methylpiperazin-1-yl)methyl]-7-[(5-methylthiophen-2-yl)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine;tris(2,2,2-trifluoroacetic acid) (PubChem CID 118747076) has the molecular formula C25H32F9N5O6S and a molecular weight of 701.61 g/mol. Its IUPAC name is 8-methyl-3-[(4-methylpiperazin-1-yl)methyl]-7-[(5-methylthiophen-2-yl)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine;tris(2,2,2-trifluoroacetic acid).

Molecular Properties

• Compound Name: 8-methyl-3-[(4-methylpiperazin-1-yl)methyl]-7-[(5-methylthiophen-2-yl)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine;tris(2,2,2-trifluoroacetic acid)
• PubChem CID: 118747076
• Molecular Formula: C25H32F9N5O6S
• Molecular Weight: 701.61 g/mol
• Exact Mass: 701.19
• IUPAC Name: 8-methyl-3-[(4-methylpiperazin-1-yl)methyl]-7-[(5-methylthiophen-2-yl)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine;tris(2,2,2-trifluoroacetic acid)
• SMILES: Cc1ccc(CN2CCn3c(CN4CCN(C)CC4)cnc3C2C)s1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F
• InChI: InChI=1S/C19H29N5S.3C2HF3O2/c1-15-4-5-18(25-15)14-23-10-11-24-17(12-20-19(24)16(23)2)13-22-8-6-21(3)7-9-22;3*3-2(4,5)1(6)7/h4-5,12,16H,6-11,13-14H2,1-3H3;3*(H,6,7)
• InChIKey: WQVLLIIAXSCKQI-UHFFFAOYSA-N
• XLogP: 4.48
• TPSA: 139.44 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 9
• Rotatable Bonds: 4
• Heavy Atoms: 46
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	701.61
LogP ≤ 5	4.48
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 8-methyl-3-[(4-methylpiperazin-1-yl)methyl]-7-[(5-methylthiophen-2-yl)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine;tris(2,2,2-trifluoroacetic acid)?

The IUPAC name of 8-methyl-3-[(4-methylpiperazin-1-yl)methyl]-7-[(5-methylthiophen-2-yl)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine;tris(2,2,2-trifluoroacetic acid) (CID 118747076) is 8-methyl-3-[(4-methylpiperazin-1-yl)methyl]-7-[(5-methylthiophen-2-yl)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine;tris(2,2,2-trifluoroacetic acid).

What is the SMILES notation for 8-methyl-3-[(4-methylpiperazin-1-yl)methyl]-7-[(5-methylthiophen-2-yl)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine;tris(2,2,2-trifluoroacetic acid)?

The canonical SMILES for 8-methyl-3-[(4-methylpiperazin-1-yl)methyl]-7-[(5-methylthiophen-2-yl)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine;tris(2,2,2-trifluoroacetic acid) is Cc1ccc(CN2CCn3c(CN4CCN(C)CC4)cnc3C2C)s1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.

What is the InChIKey of 8-methyl-3-[(4-methylpiperazin-1-yl)methyl]-7-[(5-methylthiophen-2-yl)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine;tris(2,2,2-trifluoroacetic acid)?

The InChIKey is WQVLLIIAXSCKQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N5S.3C2HF3O2/c1-15-4-5-18(25-15)14-23-10-11-24-17(12-20-19(24)16(23)2)13-22-8-6-21(3)7-9-22;3*3-2(4,5)1(6)7/h4-5,12,16H,6-11,13-14H2,1-3H3;3*(H,6,7).

What are the key properties of 8-methyl-3-[(4-methylpiperazin-1-yl)methyl]-7-[(5-methylthiophen-2-yl)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine;tris(2,2,2-trifluoroacetic acid)?

8-methyl-3-[(4-methylpiperazin-1-yl)methyl]-7-[(5-methylthiophen-2-yl)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine;tris(2,2,2-trifluoroacetic acid) has a molecular weight of 701.61 g/mol, XLogP of 4.48, 4 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 8-methyl-3-[(4-methylpiperazin-1-yl)methyl]-7-[(5-methylthiophen-2-yl)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine;tris(2,2,2-trifluoroacetic acid) is sourced from PubChem (CID 118747076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).