2-(furan-2-yl)-1-[8-methyl-3-(pyridin-3-yloxymethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]ethanone;2,2,2-trifluoroacetic acid

C21H21F3N4O5 — CID 118744278

IUPAC2-(furan-2-yl)-1-[8-methyl-3-(pyridin-3-yloxymethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]ethanone;2,2,2-trifluoroacetic acid
SMILESCC1c2ncc(COc3cccnc3)n2CCN1C(=O)Cc1ccco1.O=C(O)C(F)(F)F
InChIInChI=1S/C19H20N4O3.C2HF3O2/c1-14-19-21-11-15(13-26-17-4-2-6-20-12-17)23(19)8-7-22(14)18(24)10-16-5-3-9-25-16;3-2(4,5)1(6)7/h2-6,9,11-12,14H,7-8,10,13H2,1H3;(H,6,7)
InChIKeyDRHAZQYWDYRIQK-UHFFFAOYSA-N
MW466.42 g/mol
LogP3.23
Rot. Bonds5

About 2-(furan-2-yl)-1-[8-methyl-3-(pyridin-3-yloxymethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]ethanone;2,2,2-trifluoroacetic acid

2-(furan-2-yl)-1-[8-methyl-3-(pyridin-3-yloxymethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]ethanone;2,2,2-trifluoroacetic acid (PubChem CID 118744278) has the molecular formula C21H21F3N4O5 and a molecular weight of 466.42 g/mol. Its IUPAC name is 2-(furan-2-yl)-1-[8-methyl-3-(pyridin-3-yloxymethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]ethanone;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name2-(furan-2-yl)-1-[8-methyl-3-(pyridin-3-yloxymethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]ethanone;2,2,2-trifluoroacetic acid
PubChem CID118744278
Molecular FormulaC21H21F3N4O5
Molecular Weight466.42 g/mol
Exact Mass466.15
IUPAC Name2-(furan-2-yl)-1-[8-methyl-3-(pyridin-3-yloxymethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]ethanone;2,2,2-trifluoroacetic acid
SMILESCC1c2ncc(COc3cccnc3)n2CCN1C(=O)Cc1ccco1.O=C(O)C(F)(F)F
InChIInChI=1S/C19H20N4O3.C2HF3O2/c1-14-19-21-11-15(13-26-17-4-2-6-20-12-17)23(19)8-7-22(14)18(24)10-16-5-3-9-25-16;3-2(4,5)1(6)7/h2-6,9,11-12,14H,7-8,10,13H2,1H3;(H,6,7)
InChIKeyDRHAZQYWDYRIQK-UHFFFAOYSA-N
XLogP3.23
TPSA110.69 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.42
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-(furan-2-yl)-1-[8-methyl-3-(pyridin-3-yloxymethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]ethanone;2,2,2-trifluoroacetic acid with MolForge

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Related Compounds

cyclohexen-1-yl-[8-methyl-3-(pyridin-3-yloxymethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methanone;2,2,2-trifluoroacetic acid
CID 118743846
7-(furan-2-ylmethyl)-8-methyl-3-(1,2,4-triazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine;2,2,2-trifluoroacetic acid
CID 155829245
1-[8-methyl-3-[[methyl(propan-2-yl)amino]methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-2-thiophen-2-ylethanone;2,2,2-trifluoroacetic acid
CID 118743049
(8S)-7-cyclobutyl-8-methyl-3-(pyridin-3-yloxymethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine
CID 97422078
(8R)-8-methyl-3-(pyridin-3-yloxymethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine
CID 97475194
2-[[(8S)-7-(furan-2-ylmethyl)-8-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-3-yl]methoxy]-1-pyrrolidin-1-ylethanone
CID 97422036
1-[(8R)-3-(methoxymethyl)-8-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-2-thiophen-3-ylethanone
CID 97421777
2-[[7-(1-fluorocyclopropanecarbonyl)-8-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-3-yl]methoxy]-1-pyrrolidin-1-ylethanone;2,2,2-trifluoroacetic acid
CID 155869757
(8R)-8-methyl-7-[(1-methylpyrazol-4-yl)methyl]-3-(pyridin-3-yloxymethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine
CID 97422049
7-(furan-2-ylmethyl)-3-(pyrimidin-5-yloxymethyl)-5,6,8,9-tetrahydro-[1,2,4]triazolo[4,3-d][1,4]diazepine;2,2,2-trifluoroacetic acid
CID 118745226
(2-methylfuran-3-yl)-[8-methyl-3-[(4-methylpiperazin-1-yl)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methanone;bis(2,2,2-trifluoroacetic acid)
CID 155849378
9-(furan-2-ylmethyl)-3-pyridin-3-yloxy-1-oxa-9-azaspiro[4.5]decane;bis(2,2,2-trifluoroacetic acid)
CID 155842299

Frequently Asked Questions

What is the IUPAC name of 2-(furan-2-yl)-1-[8-methyl-3-(pyridin-3-yloxymethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]ethanone;2,2,2-trifluoroacetic acid?
The IUPAC name of 2-(furan-2-yl)-1-[8-methyl-3-(pyridin-3-yloxymethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]ethanone;2,2,2-trifluoroacetic acid (CID 118744278) is 2-(furan-2-yl)-1-[8-methyl-3-(pyridin-3-yloxymethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]ethanone;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 2-(furan-2-yl)-1-[8-methyl-3-(pyridin-3-yloxymethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]ethanone;2,2,2-trifluoroacetic acid?
The canonical SMILES for 2-(furan-2-yl)-1-[8-methyl-3-(pyridin-3-yloxymethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]ethanone;2,2,2-trifluoroacetic acid is CC1c2ncc(COc3cccnc3)n2CCN1C(=O)Cc1ccco1.O=C(O)C(F)(F)F.
What is the InChIKey of 2-(furan-2-yl)-1-[8-methyl-3-(pyridin-3-yloxymethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]ethanone;2,2,2-trifluoroacetic acid?
The InChIKey is DRHAZQYWDYRIQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O3.C2HF3O2/c1-14-19-21-11-15(13-26-17-4-2-6-20-12-17)23(19)8-7-22(14)18(24)10-16-5-3-9-25-16;3-2(4,5)1(6)7/h2-6,9,11-12,14H,7-8,10,13H2,1H3;(H,6,7).
What are the key properties of 2-(furan-2-yl)-1-[8-methyl-3-(pyridin-3-yloxymethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]ethanone;2,2,2-trifluoroacetic acid?
2-(furan-2-yl)-1-[8-methyl-3-(pyridin-3-yloxymethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]ethanone;2,2,2-trifluoroacetic acid has a molecular weight of 466.42 g/mol, XLogP of 3.23, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(furan-2-yl)-1-[8-methyl-3-(pyridin-3-yloxymethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]ethanone;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 118744278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).