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

C18H21F6N5O4 — CID 155844169

IUPAC8-(4-cyclobutylpiperazin-1-yl)imidazo[1,2-a]pyrazine;bis(2,2,2-trifluoroacetic acid)
SMILESO=C(O)C(F)(F)F.O=C(O)C(F)(F)F.c1cn2ccnc2c(N2CCN(C3CCC3)CC2)n1
InChIInChI=1S/C14H19N5.2C2HF3O2/c1-2-12(3-1)17-8-10-19(11-9-17)14-13-15-4-6-18(13)7-5-16-14;2*3-2(4,5)1(6)7/h4-7,12H,1-3,8-11H2;2*(H,6,7)
InChIKeyAFUYHIJOKMELMR-UHFFFAOYSA-N
MW485.39 g/mol
LogP2.67
Rot. Bonds2

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

8-(4-cyclobutylpiperazin-1-yl)imidazo[1,2-a]pyrazine;bis(2,2,2-trifluoroacetic acid) (PubChem CID 155844169) has the molecular formula C18H21F6N5O4 and a molecular weight of 485.39 g/mol. Its IUPAC name is 8-(4-cyclobutylpiperazin-1-yl)imidazo[1,2-a]pyrazine;bis(2,2,2-trifluoroacetic acid).

Molecular Properties

Compound Name8-(4-cyclobutylpiperazin-1-yl)imidazo[1,2-a]pyrazine;bis(2,2,2-trifluoroacetic acid)
PubChem CID155844169
Molecular FormulaC18H21F6N5O4
Molecular Weight485.39 g/mol
Exact Mass485.15
IUPAC Name8-(4-cyclobutylpiperazin-1-yl)imidazo[1,2-a]pyrazine;bis(2,2,2-trifluoroacetic acid)
SMILESO=C(O)C(F)(F)F.O=C(O)C(F)(F)F.c1cn2ccnc2c(N2CCN(C3CCC3)CC2)n1
InChIInChI=1S/C14H19N5.2C2HF3O2/c1-2-12(3-1)17-8-10-19(11-9-17)14-13-15-4-6-18(13)7-5-16-14;2*3-2(4,5)1(6)7/h4-7,12H,1-3,8-11H2;2*(H,6,7)
InChIKeyAFUYHIJOKMELMR-UHFFFAOYSA-N
XLogP2.67
TPSA111.27 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.39
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 8-(4-cyclobutylpiperazin-1-yl)imidazo[1,2-a]pyrazine;bis(2,2,2-trifluoroacetic acid)?
The IUPAC name of 8-(4-cyclobutylpiperazin-1-yl)imidazo[1,2-a]pyrazine;bis(2,2,2-trifluoroacetic acid) (CID 155844169) is 8-(4-cyclobutylpiperazin-1-yl)imidazo[1,2-a]pyrazine;bis(2,2,2-trifluoroacetic acid).
What is the SMILES notation for 8-(4-cyclobutylpiperazin-1-yl)imidazo[1,2-a]pyrazine;bis(2,2,2-trifluoroacetic acid)?
The canonical SMILES for 8-(4-cyclobutylpiperazin-1-yl)imidazo[1,2-a]pyrazine;bis(2,2,2-trifluoroacetic acid) is O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.c1cn2ccnc2c(N2CCN(C3CCC3)CC2)n1.
What is the InChIKey of 8-(4-cyclobutylpiperazin-1-yl)imidazo[1,2-a]pyrazine;bis(2,2,2-trifluoroacetic acid)?
The InChIKey is AFUYHIJOKMELMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5.2C2HF3O2/c1-2-12(3-1)17-8-10-19(11-9-17)14-13-15-4-6-18(13)7-5-16-14;2*3-2(4,5)1(6)7/h4-7,12H,1-3,8-11H2;2*(H,6,7).
What are the key properties of 8-(4-cyclobutylpiperazin-1-yl)imidazo[1,2-a]pyrazine;bis(2,2,2-trifluoroacetic acid)?
8-(4-cyclobutylpiperazin-1-yl)imidazo[1,2-a]pyrazine;bis(2,2,2-trifluoroacetic acid) has a molecular weight of 485.39 g/mol, XLogP of 2.67, 2 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(4-cyclobutylpiperazin-1-yl)imidazo[1,2-a]pyrazine;bis(2,2,2-trifluoroacetic acid) is sourced from PubChem (CID 155844169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).