[6-(1-methylpyrazol-4-yl)-3-piperazin-1-ylimidazo[1,2-a]pyrazin-2-yl] 2,2,2-trifluoroacetate

C16H16F3N7O2 — CID 172550909

IUPAC[6-(1-methylpyrazol-4-yl)-3-piperazin-1-ylimidazo[1,2-a]pyrazin-2-yl] 2,2,2-trifluoroacetate
SMILESCn1cc(-c2cn3c(N4CCNCC4)c(OC(=O)C(F)(F)F)nc3cn2)cn1
InChIInChI=1S/C16H16F3N7O2/c1-24-8-10(6-22-24)11-9-26-12(7-21-11)23-13(28-15(27)16(17,18)19)14(26)25-4-2-20-3-5-25/h6-9,20H,2-5H2,1H3
InChIKeyCNYVKKKPBALXAK-UHFFFAOYSA-N
MW395.35 g/mol
LogP1.01
Rot. Bonds3

About [6-(1-methylpyrazol-4-yl)-3-piperazin-1-ylimidazo[1,2-a]pyrazin-2-yl] 2,2,2-trifluoroacetate

[6-(1-methylpyrazol-4-yl)-3-piperazin-1-ylimidazo[1,2-a]pyrazin-2-yl] 2,2,2-trifluoroacetate (PubChem CID 172550909) has the molecular formula C16H16F3N7O2 and a molecular weight of 395.35 g/mol. Its IUPAC name is [6-(1-methylpyrazol-4-yl)-3-piperazin-1-ylimidazo[1,2-a]pyrazin-2-yl] 2,2,2-trifluoroacetate.

Molecular Properties

Compound Name[6-(1-methylpyrazol-4-yl)-3-piperazin-1-ylimidazo[1,2-a]pyrazin-2-yl] 2,2,2-trifluoroacetate
PubChem CID172550909
Molecular FormulaC16H16F3N7O2
Molecular Weight395.35 g/mol
Exact Mass395.13
IUPAC Name[6-(1-methylpyrazol-4-yl)-3-piperazin-1-ylimidazo[1,2-a]pyrazin-2-yl] 2,2,2-trifluoroacetate
SMILESCn1cc(-c2cn3c(N4CCNCC4)c(OC(=O)C(F)(F)F)nc3cn2)cn1
InChIInChI=1S/C16H16F3N7O2/c1-24-8-10(6-22-24)11-9-26-12(7-21-11)23-13(28-15(27)16(17,18)19)14(26)25-4-2-20-3-5-25/h6-9,20H,2-5H2,1H3
InChIKeyCNYVKKKPBALXAK-UHFFFAOYSA-N
XLogP1.01
TPSA89.58 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.35
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

3-(1,4-diazepan-1-yl)-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazine
CID 172585149
6-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazine-3-carbaldehyde
CID 125449429
2-methyl-6-[6-piperazin-1-yl-5-(trifluoromethyl)-3-pyridinyl]imidazo[1,2-a]pyrazine
CID 176905955
5-(1-methylpyrazol-4-yl)-1-[2-(7-piperazin-1-ylquinolin-4-yl)oxyethyl]pyrazin-2-one
CID 175559628
7-(1-methylpyrazol-4-yl)-3-piperazin-1-ylimidazo[1,2-a]pyridine
CID 172585168
4-[6-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-3-yl]phenol
CID 137001359
N-[6-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-3-yl]benzamide
CID 126471983
1-[5-(1-methylpyrazol-4-yl)-1H-1,2,4-triazol-3-yl]-1,4-diazepane
CID 102797197
2-ethenyl-6-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazine
CID 142598076
N,3-dimethyl-3-[7-(1-methylpyrazol-4-yl)imidazo[1,2-c]pyrimidin-5-yl]oxycyclobutan-1-amine;2,2,2-trifluoroacetic acid
CID 175743593
3-methyl-9-(1-methylpyrazol-4-yl)-1-[4-piperazin-1-yl-3-(trifluoromethyl)phenyl]-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one
CID 71573047
tert-butyl 4-[5-[3-cyano-7-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridin-5-yl]-2-pyridinyl]piperazine-1-carboxylate;7-(1-methylpyrazol-4-yl)-5-(6-piperazin-1-yl-3-pyridinyl)imidazo[1,2-a]pyridine-3-carbonitrile
CID 167561978

Frequently Asked Questions

What is the IUPAC name of [6-(1-methylpyrazol-4-yl)-3-piperazin-1-ylimidazo[1,2-a]pyrazin-2-yl] 2,2,2-trifluoroacetate?
The IUPAC name of [6-(1-methylpyrazol-4-yl)-3-piperazin-1-ylimidazo[1,2-a]pyrazin-2-yl] 2,2,2-trifluoroacetate (CID 172550909) is [6-(1-methylpyrazol-4-yl)-3-piperazin-1-ylimidazo[1,2-a]pyrazin-2-yl] 2,2,2-trifluoroacetate.
What is the SMILES notation for [6-(1-methylpyrazol-4-yl)-3-piperazin-1-ylimidazo[1,2-a]pyrazin-2-yl] 2,2,2-trifluoroacetate?
The canonical SMILES for [6-(1-methylpyrazol-4-yl)-3-piperazin-1-ylimidazo[1,2-a]pyrazin-2-yl] 2,2,2-trifluoroacetate is Cn1cc(-c2cn3c(N4CCNCC4)c(OC(=O)C(F)(F)F)nc3cn2)cn1.
What is the InChIKey of [6-(1-methylpyrazol-4-yl)-3-piperazin-1-ylimidazo[1,2-a]pyrazin-2-yl] 2,2,2-trifluoroacetate?
The InChIKey is CNYVKKKPBALXAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F3N7O2/c1-24-8-10(6-22-24)11-9-26-12(7-21-11)23-13(28-15(27)16(17,18)19)14(26)25-4-2-20-3-5-25/h6-9,20H,2-5H2,1H3.
What are the key properties of [6-(1-methylpyrazol-4-yl)-3-piperazin-1-ylimidazo[1,2-a]pyrazin-2-yl] 2,2,2-trifluoroacetate?
[6-(1-methylpyrazol-4-yl)-3-piperazin-1-ylimidazo[1,2-a]pyrazin-2-yl] 2,2,2-trifluoroacetate has a molecular weight of 395.35 g/mol, XLogP of 1.01, 3 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(1-methylpyrazol-4-yl)-3-piperazin-1-ylimidazo[1,2-a]pyrazin-2-yl] 2,2,2-trifluoroacetate is sourced from PubChem (CID 172550909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).