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

C21H24F3N5O2 — CID 171694166

IUPAC8-[4-[(4-ethylphenyl)methyl]piperazin-1-yl]imidazo[1,2-a]pyrazine;2,2,2-trifluoroacetic acid
SMILESCCc1ccc(CN2CCN(c3nccn4ccnc34)CC2)cc1.O=C(O)C(F)(F)F
InChIInChI=1S/C19H23N5.C2HF3O2/c1-2-16-3-5-17(6-4-16)15-22-11-13-24(14-12-22)19-18-20-7-9-23(18)10-8-21-19;3-2(4,5)1(6)7/h3-10H,2,11-15H2,1H3;(H,6,7)
InChIKeyGVTQHYRPUUXPOC-UHFFFAOYSA-N
MW435.45 g/mol
LogP3.25
Rot. Bonds4

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

8-[4-[(4-ethylphenyl)methyl]piperazin-1-yl]imidazo[1,2-a]pyrazine;2,2,2-trifluoroacetic acid (PubChem CID 171694166) has the molecular formula C21H24F3N5O2 and a molecular weight of 435.45 g/mol. Its IUPAC name is 8-[4-[(4-ethylphenyl)methyl]piperazin-1-yl]imidazo[1,2-a]pyrazine;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name8-[4-[(4-ethylphenyl)methyl]piperazin-1-yl]imidazo[1,2-a]pyrazine;2,2,2-trifluoroacetic acid
PubChem CID171694166
Molecular FormulaC21H24F3N5O2
Molecular Weight435.45 g/mol
Exact Mass435.19
IUPAC Name8-[4-[(4-ethylphenyl)methyl]piperazin-1-yl]imidazo[1,2-a]pyrazine;2,2,2-trifluoroacetic acid
SMILESCCc1ccc(CN2CCN(c3nccn4ccnc34)CC2)cc1.O=C(O)C(F)(F)F
InChIInChI=1S/C19H23N5.C2HF3O2/c1-2-16-3-5-17(6-4-16)15-22-11-13-24(14-12-22)19-18-20-7-9-23(18)10-8-21-19;3-2(4,5)1(6)7/h3-10H,2,11-15H2,1H3;(H,6,7)
InChIKeyGVTQHYRPUUXPOC-UHFFFAOYSA-N
XLogP3.25
TPSA73.97 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.45
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 8-[4-[(4-ethylphenyl)methyl]piperazin-1-yl]imidazo[1,2-a]pyrazine;2,2,2-trifluoroacetic acid?
The IUPAC name of 8-[4-[(4-ethylphenyl)methyl]piperazin-1-yl]imidazo[1,2-a]pyrazine;2,2,2-trifluoroacetic acid (CID 171694166) is 8-[4-[(4-ethylphenyl)methyl]piperazin-1-yl]imidazo[1,2-a]pyrazine;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 8-[4-[(4-ethylphenyl)methyl]piperazin-1-yl]imidazo[1,2-a]pyrazine;2,2,2-trifluoroacetic acid?
The canonical SMILES for 8-[4-[(4-ethylphenyl)methyl]piperazin-1-yl]imidazo[1,2-a]pyrazine;2,2,2-trifluoroacetic acid is CCc1ccc(CN2CCN(c3nccn4ccnc34)CC2)cc1.O=C(O)C(F)(F)F.
What is the InChIKey of 8-[4-[(4-ethylphenyl)methyl]piperazin-1-yl]imidazo[1,2-a]pyrazine;2,2,2-trifluoroacetic acid?
The InChIKey is GVTQHYRPUUXPOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5.C2HF3O2/c1-2-16-3-5-17(6-4-16)15-22-11-13-24(14-12-22)19-18-20-7-9-23(18)10-8-21-19;3-2(4,5)1(6)7/h3-10H,2,11-15H2,1H3;(H,6,7).
What are the key properties of 8-[4-[(4-ethylphenyl)methyl]piperazin-1-yl]imidazo[1,2-a]pyrazine;2,2,2-trifluoroacetic acid?
8-[4-[(4-ethylphenyl)methyl]piperazin-1-yl]imidazo[1,2-a]pyrazine;2,2,2-trifluoroacetic acid has a molecular weight of 435.45 g/mol, XLogP of 3.25, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[4-[(4-ethylphenyl)methyl]piperazin-1-yl]imidazo[1,2-a]pyrazine;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 171694166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).