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

C23H23F6N7O4S — CID 155832206

IUPAC3-(1-methylpyrazol-4-yl)-8-[4-(thiophen-2-ylmethyl)piperazin-1-yl]imidazo[1,2-a]pyrazine;bis(2,2,2-trifluoroacetic acid)
SMILESCn1cc(-c2cnc3c(N4CCN(Cc5cccs5)CC4)nccn23)cn1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F
InChIInChI=1S/C19H21N7S.2C2HF3O2/c1-23-13-15(11-22-23)17-12-21-19-18(20-4-5-26(17)19)25-8-6-24(7-9-25)14-16-3-2-10-27-16;2*3-2(4,5)1(6)7/h2-5,10-13H,6-9,14H2,1H3;2*(H,6,7)
InChIKeyQVBJLRQXQHIVGL-UHFFFAOYSA-N
MW607.54 g/mol
LogP3.78
Rot. Bonds4

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

3-(1-methylpyrazol-4-yl)-8-[4-(thiophen-2-ylmethyl)piperazin-1-yl]imidazo[1,2-a]pyrazine;bis(2,2,2-trifluoroacetic acid) (PubChem CID 155832206) has the molecular formula C23H23F6N7O4S and a molecular weight of 607.54 g/mol. Its IUPAC name is 3-(1-methylpyrazol-4-yl)-8-[4-(thiophen-2-ylmethyl)piperazin-1-yl]imidazo[1,2-a]pyrazine;bis(2,2,2-trifluoroacetic acid).

Molecular Properties

Compound Name3-(1-methylpyrazol-4-yl)-8-[4-(thiophen-2-ylmethyl)piperazin-1-yl]imidazo[1,2-a]pyrazine;bis(2,2,2-trifluoroacetic acid)
PubChem CID155832206
Molecular FormulaC23H23F6N7O4S
Molecular Weight607.54 g/mol
Exact Mass607.14
IUPAC Name3-(1-methylpyrazol-4-yl)-8-[4-(thiophen-2-ylmethyl)piperazin-1-yl]imidazo[1,2-a]pyrazine;bis(2,2,2-trifluoroacetic acid)
SMILESCn1cc(-c2cnc3c(N4CCN(Cc5cccs5)CC4)nccn23)cn1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F
InChIInChI=1S/C19H21N7S.2C2HF3O2/c1-23-13-15(11-22-23)17-12-21-19-18(20-4-5-26(17)19)25-8-6-24(7-9-25)14-16-3-2-10-27-16;2*3-2(4,5)1(6)7/h2-5,10-13H,6-9,14H2,1H3;2*(H,6,7)
InChIKeyQVBJLRQXQHIVGL-UHFFFAOYSA-N
XLogP3.78
TPSA129.09 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds4
Heavy Atoms41
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500607.54
LogP ≤ 53.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

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Related Compounds

7-(1-Methylpyrazol-4-yl)-3-(5-pyridin-4-ylthiophen-2-yl)imidazo[1,2-a]pyridine
CID 164616134
3-[5-(4-Fluorophenyl)thiophen-2-yl]-7-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridine
CID 164616414
7-(1-Methylpyrazol-4-yl)-3-[5-[3-(trifluoromethyl)phenyl]thiophen-2-yl]imidazo[1,2-a]pyridine
CID 164616547
7-(1-Methylpyrazol-4-yl)-3-(5-pyridin-3-ylthiophen-2-yl)imidazo[1,2-a]pyridine
CID 164625241
3-[5-(3-Fluorophenyl)thiophen-2-yl]-7-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridine
CID 164627013
8-Propyl-7-[(2-thiophen-2-ylimidazol-1-yl)methyl]-[1,2,4]triazolo[1,5-c]pyrimidine
CID 11771684
US9096589, 8-Methyl-2-[2-(1-methyl-4-thiophen-2-yl-1H-imidazol-2-yl)-ethyl]-[1,2,4]triazolo[1,5-a]pyridine
CID 53250194
3-[5-(4-Fluorophenyl)thiophen-2-yl]-6-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridine
CID 164622607
3-(1-Methylpyrazol-4-yl)-6-thiophen-3-ylimidazo[1,2-a]pyrazine
CID 155556600
8-Methyl-3-[5-(1-methylpyrazol-4-yl)thiophen-2-yl]imidazo[1,2-a]pyridine
CID 164610901
6-(1-Methylpyrazol-4-yl)-3-(3-thienyl)imidazo [1,2-a]pyrazine
CID 126672956
1-methyl-N-[[7-[(5-methylthiophen-2-yl)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]methyl]pyrazole-4-carboxamide;2,2,2-trifluoroacetic acid
CID 118743758

Frequently Asked Questions

What is the IUPAC name of 3-(1-methylpyrazol-4-yl)-8-[4-(thiophen-2-ylmethyl)piperazin-1-yl]imidazo[1,2-a]pyrazine;bis(2,2,2-trifluoroacetic acid)?
The IUPAC name of 3-(1-methylpyrazol-4-yl)-8-[4-(thiophen-2-ylmethyl)piperazin-1-yl]imidazo[1,2-a]pyrazine;bis(2,2,2-trifluoroacetic acid) (CID 155832206) is 3-(1-methylpyrazol-4-yl)-8-[4-(thiophen-2-ylmethyl)piperazin-1-yl]imidazo[1,2-a]pyrazine;bis(2,2,2-trifluoroacetic acid).
What is the SMILES notation for 3-(1-methylpyrazol-4-yl)-8-[4-(thiophen-2-ylmethyl)piperazin-1-yl]imidazo[1,2-a]pyrazine;bis(2,2,2-trifluoroacetic acid)?
The canonical SMILES for 3-(1-methylpyrazol-4-yl)-8-[4-(thiophen-2-ylmethyl)piperazin-1-yl]imidazo[1,2-a]pyrazine;bis(2,2,2-trifluoroacetic acid) is Cn1cc(-c2cnc3c(N4CCN(Cc5cccs5)CC4)nccn23)cn1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.
What is the InChIKey of 3-(1-methylpyrazol-4-yl)-8-[4-(thiophen-2-ylmethyl)piperazin-1-yl]imidazo[1,2-a]pyrazine;bis(2,2,2-trifluoroacetic acid)?
The InChIKey is QVBJLRQXQHIVGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N7S.2C2HF3O2/c1-23-13-15(11-22-23)17-12-21-19-18(20-4-5-26(17)19)25-8-6-24(7-9-25)14-16-3-2-10-27-16;2*3-2(4,5)1(6)7/h2-5,10-13H,6-9,14H2,1H3;2*(H,6,7).
What are the key properties of 3-(1-methylpyrazol-4-yl)-8-[4-(thiophen-2-ylmethyl)piperazin-1-yl]imidazo[1,2-a]pyrazine;bis(2,2,2-trifluoroacetic acid)?
3-(1-methylpyrazol-4-yl)-8-[4-(thiophen-2-ylmethyl)piperazin-1-yl]imidazo[1,2-a]pyrazine;bis(2,2,2-trifluoroacetic acid) has a molecular weight of 607.54 g/mol, XLogP of 3.78, 4 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-methylpyrazol-4-yl)-8-[4-(thiophen-2-ylmethyl)piperazin-1-yl]imidazo[1,2-a]pyrazine;bis(2,2,2-trifluoroacetic acid) is sourced from PubChem (CID 155832206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).