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

C23H28F9N5O7 — CID 155829642

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

7-(furan-3-ylmethyl)-2-[(4-methylpiperazin-1-yl)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine;tris(2,2,2-trifluoroacetic acid) (PubChem CID 155829642) has the molecular formula C23H28F9N5O7 and a molecular weight of 657.49 g/mol. Its IUPAC name is 7-(furan-3-ylmethyl)-2-[(4-methylpiperazin-1-yl)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine;tris(2,2,2-trifluoroacetic acid).

Molecular Properties

• Compound Name: 7-(furan-3-ylmethyl)-2-[(4-methylpiperazin-1-yl)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine;tris(2,2,2-trifluoroacetic acid)
• PubChem CID: 155829642
• Molecular Formula: C23H28F9N5O7
• Molecular Weight: 657.49 g/mol
• Exact Mass: 657.18
• IUPAC Name: 7-(furan-3-ylmethyl)-2-[(4-methylpiperazin-1-yl)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine;tris(2,2,2-trifluoroacetic acid)
• SMILES: CN1CCN(Cc2cn3c(n2)CN(Cc2ccoc2)CC3)CC1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F
• InChI: InChI=1S/C17H25N5O.3C2HF3O2/c1-19-3-5-20(6-4-19)11-16-12-22-8-7-21(13-17(22)18-16)10-15-2-9-23-14-15;3*3-2(4,5)1(6)7/h2,9,12,14H,3-8,10-11,13H2,1H3;3*(H,6,7)
• InChIKey: QSDDXGKLFBQCSH-UHFFFAOYSA-N
• XLogP: 3.14
• TPSA: 152.58 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 9
• Rotatable Bonds: 4
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	657.49
LogP ≤ 5	3.14
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

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

The IUPAC name of 7-(furan-3-ylmethyl)-2-[(4-methylpiperazin-1-yl)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine;tris(2,2,2-trifluoroacetic acid) (CID 155829642) is 7-(furan-3-ylmethyl)-2-[(4-methylpiperazin-1-yl)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine;tris(2,2,2-trifluoroacetic acid).

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

The canonical SMILES for 7-(furan-3-ylmethyl)-2-[(4-methylpiperazin-1-yl)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine;tris(2,2,2-trifluoroacetic acid) is CN1CCN(Cc2cn3c(n2)CN(Cc2ccoc2)CC3)CC1.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 7-(furan-3-ylmethyl)-2-[(4-methylpiperazin-1-yl)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine;tris(2,2,2-trifluoroacetic acid)?

The InChIKey is QSDDXGKLFBQCSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N5O.3C2HF3O2/c1-19-3-5-20(6-4-19)11-16-12-22-8-7-21(13-17(22)18-16)10-15-2-9-23-14-15;3*3-2(4,5)1(6)7/h2,9,12,14H,3-8,10-11,13H2,1H3;3*(H,6,7).

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

7-(furan-3-ylmethyl)-2-[(4-methylpiperazin-1-yl)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine;tris(2,2,2-trifluoroacetic acid) has a molecular weight of 657.49 g/mol, XLogP of 3.14, 4 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 7-(furan-3-ylmethyl)-2-[(4-methylpiperazin-1-yl)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine;tris(2,2,2-trifluoroacetic acid) is sourced from PubChem (CID 155829642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).