8-(4-cyclobutylpiperazin-1-yl)-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazine;bis(2,2,2-trifluoroacetic acid)

C22H25F6N7O4 — CID 155852186

IUPAC8-(4-cyclobutylpiperazin-1-yl)-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazine;bis(2,2,2-trifluoroacetic acid)
SMILESCn1cc(-c2cnc3c(N4CCN(C5CCC5)CC4)nccn23)cn1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F
InChIInChI=1S/C18H23N7.2C2HF3O2/c1-22-13-14(11-21-22)16-12-20-18-17(19-5-6-25(16)18)24-9-7-23(8-10-24)15-3-2-4-15;2*3-2(4,5)1(6)7/h5-6,11-13,15H,2-4,7-10H2,1H3;2*(H,6,7)
InChIKeyOVDBZAMNRZLBKT-UHFFFAOYSA-N
MW565.48 g/mol
LogP3.07
Rot. Bonds3

About 8-(4-cyclobutylpiperazin-1-yl)-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazine;bis(2,2,2-trifluoroacetic acid)

8-(4-cyclobutylpiperazin-1-yl)-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazine;bis(2,2,2-trifluoroacetic acid) (PubChem CID 155852186) has the molecular formula C22H25F6N7O4 and a molecular weight of 565.48 g/mol. Its IUPAC name is 8-(4-cyclobutylpiperazin-1-yl)-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazine;bis(2,2,2-trifluoroacetic acid).

Molecular Properties

Compound Name8-(4-cyclobutylpiperazin-1-yl)-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazine;bis(2,2,2-trifluoroacetic acid)
PubChem CID155852186
Molecular FormulaC22H25F6N7O4
Molecular Weight565.48 g/mol
Exact Mass565.19
IUPAC Name8-(4-cyclobutylpiperazin-1-yl)-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazine;bis(2,2,2-trifluoroacetic acid)
SMILESCn1cc(-c2cnc3c(N4CCN(C5CCC5)CC4)nccn23)cn1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F
InChIInChI=1S/C18H23N7.2C2HF3O2/c1-22-13-14(11-21-22)16-12-20-18-17(19-5-6-25(16)18)24-9-7-23(8-10-24)15-3-2-4-15;2*3-2(4,5)1(6)7/h5-6,11-13,15H,2-4,7-10H2,1H3;2*(H,6,7)
InChIKeyOVDBZAMNRZLBKT-UHFFFAOYSA-N
XLogP3.07
TPSA129.09 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500565.48
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 8-(4-cyclobutylpiperazin-1-yl)-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazine;bis(2,2,2-trifluoroacetic acid) with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 8-(4-cyclobutylpiperazin-1-yl)-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazine;bis(2,2,2-trifluoroacetic acid)?
The IUPAC name of 8-(4-cyclobutylpiperazin-1-yl)-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazine;bis(2,2,2-trifluoroacetic acid) (CID 155852186) is 8-(4-cyclobutylpiperazin-1-yl)-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazine;bis(2,2,2-trifluoroacetic acid).
What is the SMILES notation for 8-(4-cyclobutylpiperazin-1-yl)-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazine;bis(2,2,2-trifluoroacetic acid)?
The canonical SMILES for 8-(4-cyclobutylpiperazin-1-yl)-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazine;bis(2,2,2-trifluoroacetic acid) is Cn1cc(-c2cnc3c(N4CCN(C5CCC5)CC4)nccn23)cn1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.
What is the InChIKey of 8-(4-cyclobutylpiperazin-1-yl)-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazine;bis(2,2,2-trifluoroacetic acid)?
The InChIKey is OVDBZAMNRZLBKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N7.2C2HF3O2/c1-22-13-14(11-21-22)16-12-20-18-17(19-5-6-25(16)18)24-9-7-23(8-10-24)15-3-2-4-15;2*3-2(4,5)1(6)7/h5-6,11-13,15H,2-4,7-10H2,1H3;2*(H,6,7).
What are the key properties of 8-(4-cyclobutylpiperazin-1-yl)-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazine;bis(2,2,2-trifluoroacetic acid)?
8-(4-cyclobutylpiperazin-1-yl)-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazine;bis(2,2,2-trifluoroacetic acid) has a molecular weight of 565.48 g/mol, XLogP of 3.07, 3 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(4-cyclobutylpiperazin-1-yl)-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazine;bis(2,2,2-trifluoroacetic acid) is sourced from PubChem (CID 155852186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).