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

C23H31F6N5O5 — CID 155834566

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

cyclopent-3-en-1-yl-[8-methyl-3-[(4-methylpiperazin-1-yl)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methanone;bis(2,2,2-trifluoroacetic acid) (PubChem CID 155834566) has the molecular formula C23H31F6N5O5 and a molecular weight of 571.52 g/mol. Its IUPAC name is cyclopent-3-en-1-yl-[8-methyl-3-[(4-methylpiperazin-1-yl)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methanone;bis(2,2,2-trifluoroacetic acid).

Molecular Properties

• Compound Name: cyclopent-3-en-1-yl-[8-methyl-3-[(4-methylpiperazin-1-yl)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methanone;bis(2,2,2-trifluoroacetic acid)
• PubChem CID: 155834566
• Molecular Formula: C23H31F6N5O5
• Molecular Weight: 571.52 g/mol
• Exact Mass: 571.22
• IUPAC Name: cyclopent-3-en-1-yl-[8-methyl-3-[(4-methylpiperazin-1-yl)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methanone;bis(2,2,2-trifluoroacetic acid)
• SMILES: CC1c2ncc(CN3CCN(C)CC3)n2CCN1C(=O)C1CC=CC1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F
• InChI: InChI=1S/C19H29N5O.2C2HF3O2/c1-15-18-20-13-17(14-22-9-7-21(2)8-10-22)24(18)12-11-23(15)19(25)16-5-3-4-6-16;2*3-2(4,5)1(6)7/h3-4,13,15-16H,5-12,14H2,1-2H3;2*(H,6,7)
• InChIKey: UIDQPNHPMMHHTI-UHFFFAOYSA-N
• XLogP: 2.77
• TPSA: 119.21 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 3
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	571.52
LogP ≤ 5	2.77
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Frequently Asked Questions

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

The IUPAC name of cyclopent-3-en-1-yl-[8-methyl-3-[(4-methylpiperazin-1-yl)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methanone;bis(2,2,2-trifluoroacetic acid) (CID 155834566) is cyclopent-3-en-1-yl-[8-methyl-3-[(4-methylpiperazin-1-yl)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methanone;bis(2,2,2-trifluoroacetic acid).

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

The canonical SMILES for cyclopent-3-en-1-yl-[8-methyl-3-[(4-methylpiperazin-1-yl)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methanone;bis(2,2,2-trifluoroacetic acid) is CC1c2ncc(CN3CCN(C)CC3)n2CCN1C(=O)C1CC=CC1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.

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

The InChIKey is UIDQPNHPMMHHTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N5O.2C2HF3O2/c1-15-18-20-13-17(14-22-9-7-21(2)8-10-22)24(18)12-11-23(15)19(25)16-5-3-4-6-16;2*3-2(4,5)1(6)7/h3-4,13,15-16H,5-12,14H2,1-2H3;2*(H,6,7).

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

cyclopent-3-en-1-yl-[8-methyl-3-[(4-methylpiperazin-1-yl)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methanone;bis(2,2,2-trifluoroacetic acid) has a molecular weight of 571.52 g/mol, XLogP of 2.77, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for cyclopent-3-en-1-yl-[8-methyl-3-[(4-methylpiperazin-1-yl)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methanone;bis(2,2,2-trifluoroacetic acid) is sourced from PubChem (CID 155834566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).