pyrazin-2-yl-[2-(pyrazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methanone;2,2,2-trifluoroacetic acid

C17H16F3N7O3 — CID 155825699

IUPACpyrazin-2-yl-[2-(pyrazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methanone;2,2,2-trifluoroacetic acid
SMILESO=C(O)C(F)(F)F.O=C(c1cnccn1)N1CCn2cc(Cn3cccn3)nc2C1
InChIInChI=1S/C15H15N7O.C2HF3O2/c23-15(13-8-16-3-4-17-13)21-7-6-20-9-12(19-14(20)11-21)10-22-5-1-2-18-22;3-2(4,5)1(6)7/h1-5,8-9H,6-7,10-11H2;(H,6,7)
InChIKeyFERQFIUPTIQWLF-UHFFFAOYSA-N
MW423.36 g/mol
LogP1.21
Rot. Bonds3

About pyrazin-2-yl-[2-(pyrazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methanone;2,2,2-trifluoroacetic acid

pyrazin-2-yl-[2-(pyrazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methanone;2,2,2-trifluoroacetic acid (PubChem CID 155825699) has the molecular formula C17H16F3N7O3 and a molecular weight of 423.36 g/mol. Its IUPAC name is pyrazin-2-yl-[2-(pyrazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methanone;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Namepyrazin-2-yl-[2-(pyrazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methanone;2,2,2-trifluoroacetic acid
PubChem CID155825699
Molecular FormulaC17H16F3N7O3
Molecular Weight423.36 g/mol
Exact Mass423.13
IUPAC Namepyrazin-2-yl-[2-(pyrazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methanone;2,2,2-trifluoroacetic acid
SMILESO=C(O)C(F)(F)F.O=C(c1cnccn1)N1CCn2cc(Cn3cccn3)nc2C1
InChIInChI=1S/C15H15N7O.C2HF3O2/c23-15(13-8-16-3-4-17-13)21-7-6-20-9-12(19-14(20)11-21)10-22-5-1-2-18-22;3-2(4,5)1(6)7/h1-5,8-9H,6-7,10-11H2;(H,6,7)
InChIKeyFERQFIUPTIQWLF-UHFFFAOYSA-N
XLogP1.21
TPSA119.03 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.36
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of pyrazin-2-yl-[2-(pyrazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methanone;2,2,2-trifluoroacetic acid?
The IUPAC name of pyrazin-2-yl-[2-(pyrazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methanone;2,2,2-trifluoroacetic acid (CID 155825699) is pyrazin-2-yl-[2-(pyrazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methanone;2,2,2-trifluoroacetic acid.
What is the SMILES notation for pyrazin-2-yl-[2-(pyrazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methanone;2,2,2-trifluoroacetic acid?
The canonical SMILES for pyrazin-2-yl-[2-(pyrazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methanone;2,2,2-trifluoroacetic acid is O=C(O)C(F)(F)F.O=C(c1cnccn1)N1CCn2cc(Cn3cccn3)nc2C1.
What is the InChIKey of pyrazin-2-yl-[2-(pyrazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methanone;2,2,2-trifluoroacetic acid?
The InChIKey is FERQFIUPTIQWLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N7O.C2HF3O2/c23-15(13-8-16-3-4-17-13)21-7-6-20-9-12(19-14(20)11-21)10-22-5-1-2-18-22;3-2(4,5)1(6)7/h1-5,8-9H,6-7,10-11H2;(H,6,7).
What are the key properties of pyrazin-2-yl-[2-(pyrazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methanone;2,2,2-trifluoroacetic acid?
pyrazin-2-yl-[2-(pyrazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methanone;2,2,2-trifluoroacetic acid has a molecular weight of 423.36 g/mol, XLogP of 1.21, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for pyrazin-2-yl-[2-(pyrazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methanone;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 155825699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).