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

C19H21F6N7O4 — CID 155852048

IUPAC8-[4-[(1-methylpyrazol-4-yl)methyl]piperazin-1-yl]imidazo[1,2-a]pyrazine;bis(2,2,2-trifluoroacetic acid)
SMILESCn1cc(CN2CCN(c3nccn4ccnc34)CC2)cn1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F
InChIInChI=1S/C15H19N7.2C2HF3O2/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;2*3-2(4,5)1(6)7/h2-5,10-11H,6-9,12H2,1H3;2*(H,6,7)
InChIKeyJQVJMYFNCIBRPL-UHFFFAOYSA-N
MW525.41 g/mol
LogP2.05
Rot. Bonds3

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

8-[4-[(1-methylpyrazol-4-yl)methyl]piperazin-1-yl]imidazo[1,2-a]pyrazine;bis(2,2,2-trifluoroacetic acid) (PubChem CID 155852048) has the molecular formula C19H21F6N7O4 and a molecular weight of 525.41 g/mol. Its IUPAC name is 8-[4-[(1-methylpyrazol-4-yl)methyl]piperazin-1-yl]imidazo[1,2-a]pyrazine;bis(2,2,2-trifluoroacetic acid).

Molecular Properties

Compound Name8-[4-[(1-methylpyrazol-4-yl)methyl]piperazin-1-yl]imidazo[1,2-a]pyrazine;bis(2,2,2-trifluoroacetic acid)
PubChem CID155852048
Molecular FormulaC19H21F6N7O4
Molecular Weight525.41 g/mol
Exact Mass525.16
IUPAC Name8-[4-[(1-methylpyrazol-4-yl)methyl]piperazin-1-yl]imidazo[1,2-a]pyrazine;bis(2,2,2-trifluoroacetic acid)
SMILESCn1cc(CN2CCN(c3nccn4ccnc34)CC2)cn1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F
InChIInChI=1S/C15H19N7.2C2HF3O2/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;2*3-2(4,5)1(6)7/h2-5,10-11H,6-9,12H2,1H3;2*(H,6,7)
InChIKeyJQVJMYFNCIBRPL-UHFFFAOYSA-N
XLogP2.05
TPSA129.09 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500525.41
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 8-[4-[(1-methylpyrazol-4-yl)methyl]piperazin-1-yl]imidazo[1,2-a]pyrazine;bis(2,2,2-trifluoroacetic acid)?
The IUPAC name of 8-[4-[(1-methylpyrazol-4-yl)methyl]piperazin-1-yl]imidazo[1,2-a]pyrazine;bis(2,2,2-trifluoroacetic acid) (CID 155852048) is 8-[4-[(1-methylpyrazol-4-yl)methyl]piperazin-1-yl]imidazo[1,2-a]pyrazine;bis(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;bis(2,2,2-trifluoroacetic acid)?
The canonical SMILES for 8-[4-[(1-methylpyrazol-4-yl)methyl]piperazin-1-yl]imidazo[1,2-a]pyrazine;bis(2,2,2-trifluoroacetic acid) is Cn1cc(CN2CCN(c3nccn4ccnc34)CC2)cn1.O=C(O)C(F)(F)F.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;bis(2,2,2-trifluoroacetic acid)?
The InChIKey is JQVJMYFNCIBRPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N7.2C2HF3O2/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;2*3-2(4,5)1(6)7/h2-5,10-11H,6-9,12H2,1H3;2*(H,6,7).
What are the key properties of 8-[4-[(1-methylpyrazol-4-yl)methyl]piperazin-1-yl]imidazo[1,2-a]pyrazine;bis(2,2,2-trifluoroacetic acid)?
8-[4-[(1-methylpyrazol-4-yl)methyl]piperazin-1-yl]imidazo[1,2-a]pyrazine;bis(2,2,2-trifluoroacetic acid) has a molecular weight of 525.41 g/mol, XLogP of 2.05, 3 rotatable bonds, 2 hydrogen bond donors, and 9 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;bis(2,2,2-trifluoroacetic acid) is sourced from PubChem (CID 155852048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).