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

C14H21F3N4O4 — CID 155834069

IUPAC1-[2-[(dimethylamino)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-2-methoxyethanone;2,2,2-trifluoroacetic acid
SMILESCOCC(=O)N1CCn2cc(CN(C)C)nc2C1.O=C(O)C(F)(F)F
InChIInChI=1S/C12H20N4O2.C2HF3O2/c1-14(2)6-10-7-15-4-5-16(8-11(15)13-10)12(17)9-18-3;3-2(4,5)1(6)7/h7H,4-6,8-9H2,1-3H3;(H,6,7)
InChIKeyFXHBTUUFYVWGOK-UHFFFAOYSA-N
MW366.34 g/mol
LogP0.57
Rot. Bonds4

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

1-[2-[(dimethylamino)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-2-methoxyethanone;2,2,2-trifluoroacetic acid (PubChem CID 155834069) has the molecular formula C14H21F3N4O4 and a molecular weight of 366.34 g/mol. Its IUPAC name is 1-[2-[(dimethylamino)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-2-methoxyethanone;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name1-[2-[(dimethylamino)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-2-methoxyethanone;2,2,2-trifluoroacetic acid
PubChem CID155834069
Molecular FormulaC14H21F3N4O4
Molecular Weight366.34 g/mol
Exact Mass366.15
IUPAC Name1-[2-[(dimethylamino)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-2-methoxyethanone;2,2,2-trifluoroacetic acid
SMILESCOCC(=O)N1CCn2cc(CN(C)C)nc2C1.O=C(O)C(F)(F)F
InChIInChI=1S/C12H20N4O2.C2HF3O2/c1-14(2)6-10-7-15-4-5-16(8-11(15)13-10)12(17)9-18-3;3-2(4,5)1(6)7/h7H,4-6,8-9H2,1-3H3;(H,6,7)
InChIKeyFXHBTUUFYVWGOK-UHFFFAOYSA-N
XLogP0.57
TPSA87.90 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.34
LogP ≤ 50.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

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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
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
Imidazo[1,5-a]pyrazine-7(8h)-carboxylic acid,5,6-dihydro-3-(trifluoromethyl)-,1,1-dimethylethyl ester
CID 57518450
3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxylic acid
CID 68419104
butyl 3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxylate
CID 141289069

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-methoxyethanone;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-methoxyethanone;2,2,2-trifluoroacetic acid (CID 155834069) is 1-[2-[(dimethylamino)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-2-methoxyethanone;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-methoxyethanone;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-methoxyethanone;2,2,2-trifluoroacetic acid is COCC(=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-methoxyethanone;2,2,2-trifluoroacetic acid?
The InChIKey is FXHBTUUFYVWGOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O2.C2HF3O2/c1-14(2)6-10-7-15-4-5-16(8-11(15)13-10)12(17)9-18-3;3-2(4,5)1(6)7/h7H,4-6,8-9H2,1-3H3;(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-methoxyethanone;2,2,2-trifluoroacetic acid?
1-[2-[(dimethylamino)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-2-methoxyethanone;2,2,2-trifluoroacetic acid has a molecular weight of 366.34 g/mol, XLogP of 0.57, 4 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-methoxyethanone;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 155834069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).