7-[(2,5-dimethylpyrazol-3-yl)methyl]-5-(ethoxymethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine;2,2,2-trifluoroacetic acid

C17H24F3N5O3 — CID 155836412

IUPAC7-[(2,5-dimethylpyrazol-3-yl)methyl]-5-(ethoxymethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine;2,2,2-trifluoroacetic acid
SMILESCCOCC1CN(Cc2cc(C)nn2C)Cc2cncn21.O=C(O)C(F)(F)F
InChIInChI=1S/C15H23N5O.C2HF3O2/c1-4-21-10-15-9-19(8-14-6-16-11-20(14)15)7-13-5-12(2)17-18(13)3;3-2(4,5)1(6)7/h5-6,11,15H,4,7-10H2,1-3H3;(H,6,7)
InChIKeyPDJQNKQFTXHJNR-UHFFFAOYSA-N
MW403.41 g/mol
LogP2.15
Rot. Bonds5

About 7-[(2,5-dimethylpyrazol-3-yl)methyl]-5-(ethoxymethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine;2,2,2-trifluoroacetic acid

7-[(2,5-dimethylpyrazol-3-yl)methyl]-5-(ethoxymethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine;2,2,2-trifluoroacetic acid (PubChem CID 155836412) has the molecular formula C17H24F3N5O3 and a molecular weight of 403.41 g/mol. Its IUPAC name is 7-[(2,5-dimethylpyrazol-3-yl)methyl]-5-(ethoxymethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name7-[(2,5-dimethylpyrazol-3-yl)methyl]-5-(ethoxymethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine;2,2,2-trifluoroacetic acid
PubChem CID155836412
Molecular FormulaC17H24F3N5O3
Molecular Weight403.41 g/mol
Exact Mass403.18
IUPAC Name7-[(2,5-dimethylpyrazol-3-yl)methyl]-5-(ethoxymethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine;2,2,2-trifluoroacetic acid
SMILESCCOCC1CN(Cc2cc(C)nn2C)Cc2cncn21.O=C(O)C(F)(F)F
InChIInChI=1S/C15H23N5O.C2HF3O2/c1-4-21-10-15-9-19(8-14-6-16-11-20(14)15)7-13-5-12(2)17-18(13)3;3-2(4,5)1(6)7/h5-6,11,15H,4,7-10H2,1-3H3;(H,6,7)
InChIKeyPDJQNKQFTXHJNR-UHFFFAOYSA-N
XLogP2.15
TPSA85.41 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.41
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

3-(3,5-Dimethyl-1H-pyrazol-1-YL)-1-{3-[2-(methoxymethyl)-5-methyl-1H-imidazol-1-YL]piperidin-1-YL}propan-1-one
CID 124075974
(3,3-difluoroazetidin-1-yl)-[(5S)-7-[(2,5-dimethylpyrazol-3-yl)methyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-5-yl]methanone
CID 124244044
(3,3-difluoroazetidin-1-yl)-[(5R)-7-[(2,5-dimethylpyrazol-3-yl)methyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-5-yl]methanone
CID 124244045
(3,3-difluoroazetidin-1-yl)-[7-[(2,5-dimethylpyrazol-3-yl)methyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-5-yl]methanone
CID 131640556
1-{4-[2-(Methoxymethyl)-5-methyl-1H-imidazol-1-YL]piperidin-1-YL}-2-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-YL]ethan-1-one
CID 132445060
1-[[1-[[1-(4,6-Dimethylpyrimidin-2-yl)piperidin-4-yl]methyl]triazol-4-yl]methyl]pyrrolidin-3-ol;bis(2,2,2-trifluoroacetic acid)
CID 154924856
5-cyclobutyl-7-(pyrimidin-2-yloxymethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine;2,2,2-trifluoroacetic acid
CID 155826886
7-[(1-methylpyrazol-4-yl)methyl]-5-[(4-methylpyrimidin-2-yl)oxymethyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine;2,2,2-trifluoroacetic acid
CID 155832068
2-[7-[(2,5-dimethylpyrazol-3-yl)methyl]-8-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]-N-propan-2-ylacetamide;2,2,2-trifluoroacetic acid
CID 155832237
(3,3-difluoroazetidin-1-yl)-[7-[(2,5-dimethylpyrazol-3-yl)methyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-5-yl]methanone;2,2,2-trifluoroacetic acid
CID 155852088
4-[(1-Propan-2-yl-5-pyrimidin-2-yl-4,6-dihydropyrrolo[3,4-d]pyrazol-3-yl)methyl]morpholine;2,2,2-trifluoroacetic acid
CID 155855025
[5-[(2,5-dimethylpyrazol-3-yl)methyl]-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-7-yl]-morpholin-4-ylmethanone;2,2,2-trifluoroacetic acid
CID 155860857

Frequently Asked Questions

What is the IUPAC name of 7-[(2,5-dimethylpyrazol-3-yl)methyl]-5-(ethoxymethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine;2,2,2-trifluoroacetic acid?
The IUPAC name of 7-[(2,5-dimethylpyrazol-3-yl)methyl]-5-(ethoxymethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine;2,2,2-trifluoroacetic acid (CID 155836412) is 7-[(2,5-dimethylpyrazol-3-yl)methyl]-5-(ethoxymethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 7-[(2,5-dimethylpyrazol-3-yl)methyl]-5-(ethoxymethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine;2,2,2-trifluoroacetic acid?
The canonical SMILES for 7-[(2,5-dimethylpyrazol-3-yl)methyl]-5-(ethoxymethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine;2,2,2-trifluoroacetic acid is CCOCC1CN(Cc2cc(C)nn2C)Cc2cncn21.O=C(O)C(F)(F)F.
What is the InChIKey of 7-[(2,5-dimethylpyrazol-3-yl)methyl]-5-(ethoxymethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine;2,2,2-trifluoroacetic acid?
The InChIKey is PDJQNKQFTXHJNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N5O.C2HF3O2/c1-4-21-10-15-9-19(8-14-6-16-11-20(14)15)7-13-5-12(2)17-18(13)3;3-2(4,5)1(6)7/h5-6,11,15H,4,7-10H2,1-3H3;(H,6,7).
What are the key properties of 7-[(2,5-dimethylpyrazol-3-yl)methyl]-5-(ethoxymethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine;2,2,2-trifluoroacetic acid?
7-[(2,5-dimethylpyrazol-3-yl)methyl]-5-(ethoxymethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine;2,2,2-trifluoroacetic acid has a molecular weight of 403.41 g/mol, XLogP of 2.15, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(2,5-dimethylpyrazol-3-yl)methyl]-5-(ethoxymethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 155836412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).