1-[2-[(dimethylamino)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-2-ethoxyethanone;2,2,2-trifluoroacetic acid

C15H23F3N4O4 — CID 155834282

IUPAC1-[2-[(dimethylamino)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-2-ethoxyethanone;2,2,2-trifluoroacetic acid
SMILESCCOCC(=O)N1CCn2cc(CN(C)C)nc2C1.O=C(O)C(F)(F)F
InChIInChI=1S/C13H22N4O2.C2HF3O2/c1-4-19-10-13(18)17-6-5-16-8-11(7-15(2)3)14-12(16)9-17;3-2(4,5)1(6)7/h8H,4-7,9-10H2,1-3H3;(H,6,7)
InChIKeyNNVBTHPOASRSOM-UHFFFAOYSA-N
MW380.37 g/mol
LogP0.96
Rot. Bonds5

About 1-[2-[(dimethylamino)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-2-ethoxyethanone;2,2,2-trifluoroacetic acid

1-[2-[(dimethylamino)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-2-ethoxyethanone;2,2,2-trifluoroacetic acid (PubChem CID 155834282) has the molecular formula C15H23F3N4O4 and a molecular weight of 380.37 g/mol. Its IUPAC name is 1-[2-[(dimethylamino)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-2-ethoxyethanone;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name1-[2-[(dimethylamino)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-2-ethoxyethanone;2,2,2-trifluoroacetic acid
PubChem CID155834282
Molecular FormulaC15H23F3N4O4
Molecular Weight380.37 g/mol
Exact Mass380.17
IUPAC Name1-[2-[(dimethylamino)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-2-ethoxyethanone;2,2,2-trifluoroacetic acid
SMILESCCOCC(=O)N1CCn2cc(CN(C)C)nc2C1.O=C(O)C(F)(F)F
InChIInChI=1S/C13H22N4O2.C2HF3O2/c1-4-19-10-13(18)17-6-5-16-8-11(7-15(2)3)14-12(16)9-17;3-2(4,5)1(6)7/h8H,4-7,9-10H2,1-3H3;(H,6,7)
InChIKeyNNVBTHPOASRSOM-UHFFFAOYSA-N
XLogP0.96
TPSA87.90 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.37
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-methoxy-1-[3-[(4-methylpiperazin-1-yl)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]ethanone
CID 97406828
N-(2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl)-2-(2,2,2-trifluoroethoxy)acetamide
CID 86772694
Morpholin-4-yl-[3-(piperidin-1-ylmethyl)-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-7-yl]methanone;2,2,2-trifluoroacetic acid
CID 118744896
3-(morpholin-4-ylmethyl)-N-propan-2-yl-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepine-7-carboxamide;2,2,2-trifluoroacetic acid
CID 118745366
N-[[7-(2-methoxyethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-3-yl]methyl]-N-methylpropan-2-amine;bis(2,2,2-trifluoroacetic acid)
CID 118745920
1-(7-Ethyl-3-methylspiro[5,6-dihydroimidazo[1,2-a]pyrazine-8,4'-piperidine]-1'-yl)-2-methoxyethanone;bis(2,2,2-trifluoroacetic acid)
CID 118745941
N-ethyl-N-[[7-(oxolan-3-yl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]methyl]ethanamine;bis(2,2,2-trifluoroacetic acid)
CID 118746022
3-methoxy-1-[2-[(4-methylpiperazin-1-yl)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]propan-1-one;bis(2,2,2-trifluoroacetic acid)
CID 118746136
[2-[(4-methylpiperazin-1-yl)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-morpholin-4-ylmethanone;bis(2,2,2-trifluoroacetic acid)
CID 118746395
2-methoxy-1-[3-[(4-methylpiperazin-1-yl)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]ethanone;bis(2,2,2-trifluoroacetic acid)
CID 118746668
[(2S,6S)-4,6-dimethylmorpholin-2-yl]-[3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]methanone
CID 164635759
3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxylic acid
CID 68419104

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(dimethylamino)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-2-ethoxyethanone;2,2,2-trifluoroacetic acid?
The IUPAC name of 1-[2-[(dimethylamino)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-2-ethoxyethanone;2,2,2-trifluoroacetic acid (CID 155834282) is 1-[2-[(dimethylamino)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-2-ethoxyethanone;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 1-[2-[(dimethylamino)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-2-ethoxyethanone;2,2,2-trifluoroacetic acid?
The canonical SMILES for 1-[2-[(dimethylamino)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-2-ethoxyethanone;2,2,2-trifluoroacetic acid is CCOCC(=O)N1CCn2cc(CN(C)C)nc2C1.O=C(O)C(F)(F)F.
What is the InChIKey of 1-[2-[(dimethylamino)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-2-ethoxyethanone;2,2,2-trifluoroacetic acid?
The InChIKey is NNVBTHPOASRSOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O2.C2HF3O2/c1-4-19-10-13(18)17-6-5-16-8-11(7-15(2)3)14-12(16)9-17;3-2(4,5)1(6)7/h8H,4-7,9-10H2,1-3H3;(H,6,7).
What are the key properties of 1-[2-[(dimethylamino)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-2-ethoxyethanone;2,2,2-trifluoroacetic acid?
1-[2-[(dimethylamino)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-2-ethoxyethanone;2,2,2-trifluoroacetic acid has a molecular weight of 380.37 g/mol, XLogP of 0.96, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(dimethylamino)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-2-ethoxyethanone;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 155834282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).