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

C16H23F3N4O4 — CID 155830892

IUPAC[2-[(dimethylamino)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-(oxolan-2-yl)methanone;2,2,2-trifluoroacetic acid
SMILESCN(C)Cc1cn2c(n1)CN(C(=O)C1CCCO1)CC2.O=C(O)C(F)(F)F
InChIInChI=1S/C14H22N4O2.C2HF3O2/c1-16(2)8-11-9-17-5-6-18(10-13(17)15-11)14(19)12-4-3-7-20-12;3-2(4,5)1(6)7/h9,12H,3-8,10H2,1-2H3;(H,6,7)
InChIKeyUKISCUULTJQMCP-UHFFFAOYSA-N
MW392.38 g/mol
LogP1.10
Rot. Bonds3

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

[2-[(dimethylamino)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-(oxolan-2-yl)methanone;2,2,2-trifluoroacetic acid (PubChem CID 155830892) has the molecular formula C16H23F3N4O4 and a molecular weight of 392.38 g/mol. Its IUPAC name is [2-[(dimethylamino)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-(oxolan-2-yl)methanone;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name[2-[(dimethylamino)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-(oxolan-2-yl)methanone;2,2,2-trifluoroacetic acid
PubChem CID155830892
Molecular FormulaC16H23F3N4O4
Molecular Weight392.38 g/mol
Exact Mass392.17
IUPAC Name[2-[(dimethylamino)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-(oxolan-2-yl)methanone;2,2,2-trifluoroacetic acid
SMILESCN(C)Cc1cn2c(n1)CN(C(=O)C1CCCO1)CC2.O=C(O)C(F)(F)F
InChIInChI=1S/C14H22N4O2.C2HF3O2/c1-16(2)8-11-9-17-5-6-18(10-13(17)15-11)14(19)12-4-3-7-20-12;3-2(4,5)1(6)7/h9,12H,3-8,10H2,1-2H3;(H,6,7)
InChIKeyUKISCUULTJQMCP-UHFFFAOYSA-N
XLogP1.10
TPSA87.90 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.38
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[3-(morpholin-4-ylmethyl)-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-7-yl]-[(2R)-oxolan-2-yl]methanone
CID 97390212
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
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
3,3,3-Trifluoro-1-{4-[5-methyl-2-(oxolan-2-YL)-1H-imidazol-1-YL]piperidin-1-YL}propan-1-one
CID 124039584
oxolan-2-yl-[2-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methanone
CID 126469231
5-ethyl-N-methyl-N-[[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]oxolane-2-carboxamide
CID 128993119
3-methyl-N-[[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]oxolane-2-carboxamide
CID 129002393
(2S,3R)-3-methyl-N-[[(6R)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]oxolane-2-carboxamide
CID 129332188
(2S,3R)-3-methyl-N-[[(6S)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]oxolane-2-carboxamide
CID 129332189
(2R,5R)-5-ethyl-N-methyl-N-[[(6S)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]oxolane-2-carboxamide
CID 129338394
(2S,5R)-5-ethyl-N-methyl-N-[[(6S)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]oxolane-2-carboxamide
CID 129338395
(2S,5R)-5-ethyl-N-methyl-N-[[(6R)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]oxolane-2-carboxamide
CID 129338396

Frequently Asked Questions

What is the IUPAC name of [2-[(dimethylamino)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-(oxolan-2-yl)methanone;2,2,2-trifluoroacetic acid?
The IUPAC name of [2-[(dimethylamino)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-(oxolan-2-yl)methanone;2,2,2-trifluoroacetic acid (CID 155830892) is [2-[(dimethylamino)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-(oxolan-2-yl)methanone;2,2,2-trifluoroacetic acid.
What is the SMILES notation for [2-[(dimethylamino)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-(oxolan-2-yl)methanone;2,2,2-trifluoroacetic acid?
The canonical SMILES for [2-[(dimethylamino)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-(oxolan-2-yl)methanone;2,2,2-trifluoroacetic acid is CN(C)Cc1cn2c(n1)CN(C(=O)C1CCCO1)CC2.O=C(O)C(F)(F)F.
What is the InChIKey of [2-[(dimethylamino)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-(oxolan-2-yl)methanone;2,2,2-trifluoroacetic acid?
The InChIKey is UKISCUULTJQMCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O2.C2HF3O2/c1-16(2)8-11-9-17-5-6-18(10-13(17)15-11)14(19)12-4-3-7-20-12;3-2(4,5)1(6)7/h9,12H,3-8,10H2,1-2H3;(H,6,7).
What are the key properties of [2-[(dimethylamino)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-(oxolan-2-yl)methanone;2,2,2-trifluoroacetic acid?
[2-[(dimethylamino)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-(oxolan-2-yl)methanone;2,2,2-trifluoroacetic acid has a molecular weight of 392.38 g/mol, XLogP of 1.10, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(dimethylamino)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-(oxolan-2-yl)methanone;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 155830892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).