8-[4-[(1-methylpyrazol-4-yl)methyl]piperazin-1-yl]imidazo[1,2-a]pyrazine;2,2,2-trifluoroacetic acid

C17H20F3N7O2 — CID 171695786

IUPAC8-[4-[(1-methylpyrazol-4-yl)methyl]piperazin-1-yl]imidazo[1,2-a]pyrazine;2,2,2-trifluoroacetic acid
SMILESCn1cc(CN2CCN(c3nccn4ccnc34)CC2)cn1.O=C(O)C(F)(F)F
InChIInChI=1S/C15H19N7.C2HF3O2/c1-19-11-13(10-18-19)12-20-6-8-22(9-7-20)15-14-16-2-4-21(14)5-3-17-15;3-2(4,5)1(6)7/h2-5,10-11H,6-9,12H2,1H3;(H,6,7)
InChIKeyQESHYVXSRACPPC-UHFFFAOYSA-N
MW411.39 g/mol
LogP1.42
Rot. Bonds3

About 8-[4-[(1-methylpyrazol-4-yl)methyl]piperazin-1-yl]imidazo[1,2-a]pyrazine;2,2,2-trifluoroacetic acid

8-[4-[(1-methylpyrazol-4-yl)methyl]piperazin-1-yl]imidazo[1,2-a]pyrazine;2,2,2-trifluoroacetic acid (PubChem CID 171695786) has the molecular formula C17H20F3N7O2 and a molecular weight of 411.39 g/mol. Its IUPAC name is 8-[4-[(1-methylpyrazol-4-yl)methyl]piperazin-1-yl]imidazo[1,2-a]pyrazine;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name8-[4-[(1-methylpyrazol-4-yl)methyl]piperazin-1-yl]imidazo[1,2-a]pyrazine;2,2,2-trifluoroacetic acid
PubChem CID171695786
Molecular FormulaC17H20F3N7O2
Molecular Weight411.39 g/mol
Exact Mass411.16
IUPAC Name8-[4-[(1-methylpyrazol-4-yl)methyl]piperazin-1-yl]imidazo[1,2-a]pyrazine;2,2,2-trifluoroacetic acid
SMILESCn1cc(CN2CCN(c3nccn4ccnc34)CC2)cn1.O=C(O)C(F)(F)F
InChIInChI=1S/C15H19N7.C2HF3O2/c1-19-11-13(10-18-19)12-20-6-8-22(9-7-20)15-14-16-2-4-21(14)5-3-17-15;3-2(4,5)1(6)7/h2-5,10-11H,6-9,12H2,1H3;(H,6,7)
InChIKeyQESHYVXSRACPPC-UHFFFAOYSA-N
XLogP1.42
TPSA91.79 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.39
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 8-[4-[(1-methylpyrazol-4-yl)methyl]piperazin-1-yl]imidazo[1,2-a]pyrazine;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

Related Compounds

7-[(1-methylpyrazol-4-yl)methyl]-2-(pyrazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine;2,2,2-trifluoroacetic acid
CID 118743909
8-methyl-3-(pyrazol-1-ylmethyl)-7-pyrimidin-2-yl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine;2,2,2-trifluoroacetic acid
CID 118744623
8-methyl-3-[(4-methylpiperazin-1-yl)methyl]-7-[(1-methylpyrazol-4-yl)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine;tris(2,2,2-trifluoroacetic acid)
CID 118747083
6-(1-Methylpyrazol-4-yl)-3-piperazin-1-ylimidazo[1,2-a]pyrazine;2,2,2-trifluoroacetic acid
CID 169783925
4-[4-[[1-(Difluoromethyl)imidazol-2-yl]methyl]piperazin-1-yl]-1-methylpyrazolo[5,4-d]pyrimidine
CID 18150409
N-ethyl-8-[4-(trifluoromethyl)pyrazol-1-yl]imidazo[1,2-a]pyrazin-6-amine
CID 80840604
N-methyl-8-[4-(trifluoromethyl)pyrazol-1-yl]imidazo[1,2-a]pyrazin-6-amine
CID 80868891
3-[(4-Pyrimidin-2-ylpiperazin-1-yl)methyl]pyrazolo[1,5-a]pyrimidine;bis(2,2,2-trifluoroacetic acid)
CID 154886717
3-[4-(Pyrazolo[1,5-a]pyrimidin-3-ylmethyl)piperazin-1-yl]propanoic acid;2,2,2-trifluoroacetic acid
CID 154907800
8-methyl-7-[(1-methylpyrazol-4-yl)methyl]-3-(pyrazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine;2,2,2-trifluoroacetic acid
CID 155824999
7-[(1-methylpyrazol-4-yl)methyl]-3-(pyrazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine;tris(2,2,2-trifluoroacetic acid)
CID 155834600
(4aR,7aS)-6-[(1-methylpyrazol-4-yl)methyl]-4-pyrazin-2-yl-2,3,4a,5,7,7a-hexahydropyrrolo[3,4-b][1,4]oxazine;2,2,2-trifluoroacetic acid
CID 155836032

Frequently Asked Questions

What is the IUPAC name of 8-[4-[(1-methylpyrazol-4-yl)methyl]piperazin-1-yl]imidazo[1,2-a]pyrazine;2,2,2-trifluoroacetic acid?
The IUPAC name of 8-[4-[(1-methylpyrazol-4-yl)methyl]piperazin-1-yl]imidazo[1,2-a]pyrazine;2,2,2-trifluoroacetic acid (CID 171695786) is 8-[4-[(1-methylpyrazol-4-yl)methyl]piperazin-1-yl]imidazo[1,2-a]pyrazine;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 8-[4-[(1-methylpyrazol-4-yl)methyl]piperazin-1-yl]imidazo[1,2-a]pyrazine;2,2,2-trifluoroacetic acid?
The canonical SMILES for 8-[4-[(1-methylpyrazol-4-yl)methyl]piperazin-1-yl]imidazo[1,2-a]pyrazine;2,2,2-trifluoroacetic acid is Cn1cc(CN2CCN(c3nccn4ccnc34)CC2)cn1.O=C(O)C(F)(F)F.
What is the InChIKey of 8-[4-[(1-methylpyrazol-4-yl)methyl]piperazin-1-yl]imidazo[1,2-a]pyrazine;2,2,2-trifluoroacetic acid?
The InChIKey is QESHYVXSRACPPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N7.C2HF3O2/c1-19-11-13(10-18-19)12-20-6-8-22(9-7-20)15-14-16-2-4-21(14)5-3-17-15;3-2(4,5)1(6)7/h2-5,10-11H,6-9,12H2,1H3;(H,6,7).
What are the key properties of 8-[4-[(1-methylpyrazol-4-yl)methyl]piperazin-1-yl]imidazo[1,2-a]pyrazine;2,2,2-trifluoroacetic acid?
8-[4-[(1-methylpyrazol-4-yl)methyl]piperazin-1-yl]imidazo[1,2-a]pyrazine;2,2,2-trifluoroacetic acid has a molecular weight of 411.39 g/mol, XLogP of 1.42, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[4-[(1-methylpyrazol-4-yl)methyl]piperazin-1-yl]imidazo[1,2-a]pyrazine;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 171695786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).