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

C18H21F3N6O3 — CID 155832479

IUPACpyrazin-2-yl-[2-(pyrrolidin-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(CN3CCCC3)nc2C1
InChIInChI=1S/C16H20N6O.C2HF3O2/c23-16(14-9-17-3-4-18-14)22-8-7-21-11-13(19-15(21)12-22)10-20-5-1-2-6-20;3-2(4,5)1(6)7/h3-4,9,11H,1-2,5-8,10,12H2;(H,6,7)
InChIKeyWVLBDRAKEXVJRR-UHFFFAOYSA-N
MW426.40 g/mol
LogP1.56
Rot. Bonds3

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

pyrazin-2-yl-[2-(pyrrolidin-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methanone;2,2,2-trifluoroacetic acid (PubChem CID 155832479) has the molecular formula C18H21F3N6O3 and a molecular weight of 426.40 g/mol. Its IUPAC name is pyrazin-2-yl-[2-(pyrrolidin-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-(pyrrolidin-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methanone;2,2,2-trifluoroacetic acid
PubChem CID155832479
Molecular FormulaC18H21F3N6O3
Molecular Weight426.40 g/mol
Exact Mass426.16
IUPAC Namepyrazin-2-yl-[2-(pyrrolidin-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(CN3CCCC3)nc2C1
InChIInChI=1S/C16H20N6O.C2HF3O2/c23-16(14-9-17-3-4-18-14)22-8-7-21-11-13(19-15(21)12-22)10-20-5-1-2-6-20;3-2(4,5)1(6)7/h3-4,9,11H,1-2,5-8,10,12H2;(H,6,7)
InChIKeyWVLBDRAKEXVJRR-UHFFFAOYSA-N
XLogP1.56
TPSA104.45 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.40
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of pyrazin-2-yl-[2-(pyrrolidin-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-(pyrrolidin-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methanone;2,2,2-trifluoroacetic acid (CID 155832479) is pyrazin-2-yl-[2-(pyrrolidin-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-(pyrrolidin-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-(pyrrolidin-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(CN3CCCC3)nc2C1.
What is the InChIKey of pyrazin-2-yl-[2-(pyrrolidin-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methanone;2,2,2-trifluoroacetic acid?
The InChIKey is WVLBDRAKEXVJRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N6O.C2HF3O2/c23-16(14-9-17-3-4-18-14)22-8-7-21-11-13(19-15(21)12-22)10-20-5-1-2-6-20;3-2(4,5)1(6)7/h3-4,9,11H,1-2,5-8,10,12H2;(H,6,7).
What are the key properties of pyrazin-2-yl-[2-(pyrrolidin-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methanone;2,2,2-trifluoroacetic acid?
pyrazin-2-yl-[2-(pyrrolidin-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methanone;2,2,2-trifluoroacetic acid has a molecular weight of 426.40 g/mol, XLogP of 1.56, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for pyrazin-2-yl-[2-(pyrrolidin-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methanone;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 155832479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).