[2-[(4-methylpiperazin-1-yl)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-morpholin-4-ylmethanone;bis(2,2,2-trifluoroacetic acid)

C21H30F6N6O6 — CID 118746395

About [2-[(4-methylpiperazin-1-yl)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-morpholin-4-ylmethanone;bis(2,2,2-trifluoroacetic acid)

[2-[(4-methylpiperazin-1-yl)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-morpholin-4-ylmethanone;bis(2,2,2-trifluoroacetic acid) (PubChem CID 118746395) has the molecular formula C21H30F6N6O6 and a molecular weight of 576.50 g/mol. Its IUPAC name is [2-[(4-methylpiperazin-1-yl)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-morpholin-4-ylmethanone;bis(2,2,2-trifluoroacetic acid).

Molecular Properties

• Compound Name: [2-[(4-methylpiperazin-1-yl)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-morpholin-4-ylmethanone;bis(2,2,2-trifluoroacetic acid)
• PubChem CID: 118746395
• Molecular Formula: C21H30F6N6O6
• Molecular Weight: 576.50 g/mol
• Exact Mass: 576.21
• IUPAC Name: [2-[(4-methylpiperazin-1-yl)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-morpholin-4-ylmethanone;bis(2,2,2-trifluoroacetic acid)
• SMILES: CN1CCN(Cc2cn3c(n2)CN(C(=O)N2CCOCC2)CC3)CC1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F
• InChI: InChI=1S/C17H28N6O2.2C2HF3O2/c1-19-2-4-20(5-3-19)12-15-13-22-6-7-23(14-16(22)18-15)17(24)21-8-10-25-11-9-21;2*3-2(4,5)1(6)7/h13H,2-12,14H2,1H3;2*(H,6,7)
• InChIKey: KNZLKWNKTFYPCJ-UHFFFAOYSA-N
• XLogP: 1.16
• TPSA: 131.68 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 2
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	576.50
LogP ≤ 5	1.16
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of [2-[(4-methylpiperazin-1-yl)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-morpholin-4-ylmethanone;bis(2,2,2-trifluoroacetic acid)?

The IUPAC name of [2-[(4-methylpiperazin-1-yl)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-morpholin-4-ylmethanone;bis(2,2,2-trifluoroacetic acid) (CID 118746395) is [2-[(4-methylpiperazin-1-yl)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-morpholin-4-ylmethanone;bis(2,2,2-trifluoroacetic acid).

What is the SMILES notation for [2-[(4-methylpiperazin-1-yl)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-morpholin-4-ylmethanone;bis(2,2,2-trifluoroacetic acid)?

The canonical SMILES for [2-[(4-methylpiperazin-1-yl)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-morpholin-4-ylmethanone;bis(2,2,2-trifluoroacetic acid) is CN1CCN(Cc2cn3c(n2)CN(C(=O)N2CCOCC2)CC3)CC1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.

What is the InChIKey of [2-[(4-methylpiperazin-1-yl)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-morpholin-4-ylmethanone;bis(2,2,2-trifluoroacetic acid)?

The InChIKey is KNZLKWNKTFYPCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N6O2.2C2HF3O2/c1-19-2-4-20(5-3-19)12-15-13-22-6-7-23(14-16(22)18-15)17(24)21-8-10-25-11-9-21;2*3-2(4,5)1(6)7/h13H,2-12,14H2,1H3;2*(H,6,7).

What are the key properties of [2-[(4-methylpiperazin-1-yl)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-morpholin-4-ylmethanone;bis(2,2,2-trifluoroacetic acid)?

[2-[(4-methylpiperazin-1-yl)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-morpholin-4-ylmethanone;bis(2,2,2-trifluoroacetic acid) has a molecular weight of 576.50 g/mol, XLogP of 1.16, 2 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for [2-[(4-methylpiperazin-1-yl)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-morpholin-4-ylmethanone;bis(2,2,2-trifluoroacetic acid) is sourced from PubChem (CID 118746395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).