2-methoxy-1-[3-[(4-methylpiperazin-1-yl)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]ethanone;bis(2,2,2-trifluoroacetic acid)

C19H27F6N5O6 — CID 118746668

About 2-methoxy-1-[3-[(4-methylpiperazin-1-yl)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]ethanone;bis(2,2,2-trifluoroacetic acid)

2-methoxy-1-[3-[(4-methylpiperazin-1-yl)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]ethanone;bis(2,2,2-trifluoroacetic acid) (PubChem CID 118746668) has the molecular formula C19H27F6N5O6 and a molecular weight of 535.44 g/mol. Its IUPAC name is 2-methoxy-1-[3-[(4-methylpiperazin-1-yl)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]ethanone;bis(2,2,2-trifluoroacetic acid).

Molecular Properties

• Compound Name: 2-methoxy-1-[3-[(4-methylpiperazin-1-yl)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]ethanone;bis(2,2,2-trifluoroacetic acid)
• PubChem CID: 118746668
• Molecular Formula: C19H27F6N5O6
• Molecular Weight: 535.44 g/mol
• Exact Mass: 535.19
• IUPAC Name: 2-methoxy-1-[3-[(4-methylpiperazin-1-yl)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]ethanone;bis(2,2,2-trifluoroacetic acid)
• SMILES: COCC(=O)N1CCn2c(CN3CCN(C)CC3)cnc2C1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F
• InChI: InChI=1S/C15H25N5O2.2C2HF3O2/c1-17-3-5-18(6-4-17)10-13-9-16-14-11-19(7-8-20(13)14)15(21)12-22-2;2*3-2(4,5)1(6)7/h9H,3-8,10-12H2,1-2H3;2*(H,6,7)
• InChIKey: GKHBCWOWLRFYIF-UHFFFAOYSA-N
• XLogP: 0.89
• TPSA: 128.44 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 4
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	535.44
LogP ≤ 5	0.89
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

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

The IUPAC name of 2-methoxy-1-[3-[(4-methylpiperazin-1-yl)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]ethanone;bis(2,2,2-trifluoroacetic acid) (CID 118746668) is 2-methoxy-1-[3-[(4-methylpiperazin-1-yl)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]ethanone;bis(2,2,2-trifluoroacetic acid).

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

The canonical SMILES for 2-methoxy-1-[3-[(4-methylpiperazin-1-yl)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]ethanone;bis(2,2,2-trifluoroacetic acid) is COCC(=O)N1CCn2c(CN3CCN(C)CC3)cnc2C1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.

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

The InChIKey is GKHBCWOWLRFYIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N5O2.2C2HF3O2/c1-17-3-5-18(6-4-17)10-13-9-16-14-11-19(7-8-20(13)14)15(21)12-22-2;2*3-2(4,5)1(6)7/h9H,3-8,10-12H2,1-2H3;2*(H,6,7).

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

2-methoxy-1-[3-[(4-methylpiperazin-1-yl)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]ethanone;bis(2,2,2-trifluoroacetic acid) has a molecular weight of 535.44 g/mol, XLogP of 0.89, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-methoxy-1-[3-[(4-methylpiperazin-1-yl)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]ethanone;bis(2,2,2-trifluoroacetic acid) is sourced from PubChem (CID 118746668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).