7,8-dimethyl-N-(thiophen-2-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxamide;2,2,2-trifluoroacetic acid

C16H19F3N4O3S — CID 155839386

IUPAC7,8-dimethyl-N-(thiophen-2-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxamide;2,2,2-trifluoroacetic acid
SMILESCC1c2nc(C(=O)NCc3cccs3)cn2CCN1C.O=C(O)C(F)(F)F
InChIInChI=1S/C14H18N4OS.C2HF3O2/c1-10-13-16-12(9-18(13)6-5-17(10)2)14(19)15-8-11-4-3-7-20-11;3-2(4,5)1(6)7/h3-4,7,9-10H,5-6,8H2,1-2H3,(H,15,19);(H,6,7)
InChIKeyORJZZNKWDHWHFP-UHFFFAOYSA-N
MW404.41 g/mol
LogP2.51
Rot. Bonds3

About 7,8-dimethyl-N-(thiophen-2-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxamide;2,2,2-trifluoroacetic acid

7,8-dimethyl-N-(thiophen-2-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxamide;2,2,2-trifluoroacetic acid (PubChem CID 155839386) has the molecular formula C16H19F3N4O3S and a molecular weight of 404.41 g/mol. Its IUPAC name is 7,8-dimethyl-N-(thiophen-2-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxamide;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name7,8-dimethyl-N-(thiophen-2-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxamide;2,2,2-trifluoroacetic acid
PubChem CID155839386
Molecular FormulaC16H19F3N4O3S
Molecular Weight404.41 g/mol
Exact Mass404.11
IUPAC Name7,8-dimethyl-N-(thiophen-2-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxamide;2,2,2-trifluoroacetic acid
SMILESCC1c2nc(C(=O)NCc3cccs3)cn2CCN1C.O=C(O)C(F)(F)F
InChIInChI=1S/C14H18N4OS.C2HF3O2/c1-10-13-16-12(9-18(13)6-5-17(10)2)14(19)15-8-11-4-3-7-20-11;3-2(4,5)1(6)7/h3-4,7,9-10H,5-6,8H2,1-2H3,(H,15,19);(H,6,7)
InChIKeyORJZZNKWDHWHFP-UHFFFAOYSA-N
XLogP2.51
TPSA87.46 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.41
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

8-methyl-7-[(1-methylpyrazol-4-yl)methyl]-N-(thiophen-2-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxamide
CID 133137342
(8R)-7-acetyl-8-methyl-N-(2-thiophen-2-ylethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxamide
CID 124798619
8-methyl-7-methylsulfonyl-N-(2-thiophen-2-ylethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxamide
CID 131655886
N-(furan-2-ylmethyl)-8-methyl-7-[(4-methyl-1,3-thiazol-2-yl)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxamide;2,2,2-trifluoroacetic acid
CID 155846545
8-methyl-7-(2-methylcyclopropanecarbonyl)-N-(pyridin-2-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxamide;2,2,2-trifluoroacetic acid
CID 155869278
6-(thiophen-2-ylmethylcarbamoyl)pyridine-2-carboxylic acid
CID 43558368
N-(cyclopropylmethyl)-8-methyl-7-(thiophen-3-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxamide;2,2,2-trifluoroacetic acid
CID 155863880
7-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-(furan-2-ylmethyl)-8-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxamide;2,2,2-trifluoroacetic acid
CID 155861510
8-methyl-7-(4-methylpentanoyl)-N-(pyridin-3-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxamide;2,2,2-trifluoroacetic acid
CID 155863960
2-(thiophen-2-ylmethylcarbamoyl)-1,3-thiazole-4-carboxylic acid
CID 116696608
N-(2-methoxyethyl)-8-methyl-7-pyridin-3-ylsulfonyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxamide;2,2,2-trifluoroacetic acid
CID 155862396
3-(1-propan-2-ylpyrrolidin-3-yl)-N-(thiophen-2-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide;2,2,2-trifluoroacetic acid
CID 155837905

Frequently Asked Questions

What is the IUPAC name of 7,8-dimethyl-N-(thiophen-2-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxamide;2,2,2-trifluoroacetic acid?
The IUPAC name of 7,8-dimethyl-N-(thiophen-2-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxamide;2,2,2-trifluoroacetic acid (CID 155839386) is 7,8-dimethyl-N-(thiophen-2-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxamide;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 7,8-dimethyl-N-(thiophen-2-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxamide;2,2,2-trifluoroacetic acid?
The canonical SMILES for 7,8-dimethyl-N-(thiophen-2-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxamide;2,2,2-trifluoroacetic acid is CC1c2nc(C(=O)NCc3cccs3)cn2CCN1C.O=C(O)C(F)(F)F.
What is the InChIKey of 7,8-dimethyl-N-(thiophen-2-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxamide;2,2,2-trifluoroacetic acid?
The InChIKey is ORJZZNKWDHWHFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4OS.C2HF3O2/c1-10-13-16-12(9-18(13)6-5-17(10)2)14(19)15-8-11-4-3-7-20-11;3-2(4,5)1(6)7/h3-4,7,9-10H,5-6,8H2,1-2H3,(H,15,19);(H,6,7).
What are the key properties of 7,8-dimethyl-N-(thiophen-2-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxamide;2,2,2-trifluoroacetic acid?
7,8-dimethyl-N-(thiophen-2-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxamide;2,2,2-trifluoroacetic acid has a molecular weight of 404.41 g/mol, XLogP of 2.51, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7,8-dimethyl-N-(thiophen-2-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 155839386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).