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

C17H18F3N5O2S — CID 171673223

IUPAC3-(pyrazol-1-ylmethyl)-7-(thiophen-2-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine;2,2,2-trifluoroacetic acid
SMILESO=C(O)C(F)(F)F.c1csc(CN2CCn3c(Cn4cccn4)cnc3C2)c1
InChIInChI=1S/C15H17N5S.C2HF3O2/c1-3-14(21-8-1)11-18-6-7-20-13(9-16-15(20)12-18)10-19-5-2-4-17-19;3-2(4,5)1(6)7/h1-5,8-9H,6-7,10-12H2;(H,6,7)
InChIKeyZXHPARNBZJRMON-UHFFFAOYSA-N
MW413.43 g/mol
LogP2.84
Rot. Bonds4

About 3-(pyrazol-1-ylmethyl)-7-(thiophen-2-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine;2,2,2-trifluoroacetic acid

3-(pyrazol-1-ylmethyl)-7-(thiophen-2-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine;2,2,2-trifluoroacetic acid (PubChem CID 171673223) has the molecular formula C17H18F3N5O2S and a molecular weight of 413.43 g/mol. Its IUPAC name is 3-(pyrazol-1-ylmethyl)-7-(thiophen-2-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name3-(pyrazol-1-ylmethyl)-7-(thiophen-2-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine;2,2,2-trifluoroacetic acid
PubChem CID171673223
Molecular FormulaC17H18F3N5O2S
Molecular Weight413.43 g/mol
Exact Mass413.11
IUPAC Name3-(pyrazol-1-ylmethyl)-7-(thiophen-2-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine;2,2,2-trifluoroacetic acid
SMILESO=C(O)C(F)(F)F.c1csc(CN2CCn3c(Cn4cccn4)cnc3C2)c1
InChIInChI=1S/C15H17N5S.C2HF3O2/c1-3-14(21-8-1)11-18-6-7-20-13(9-16-15(20)12-18)10-19-5-2-4-17-19;3-2(4,5)1(6)7/h1-5,8-9H,6-7,10-12H2;(H,6,7)
InChIKeyZXHPARNBZJRMON-UHFFFAOYSA-N
XLogP2.84
TPSA76.18 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.43
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

5,8-Dimethyl-2-[2-(1-methyl-2-thiophen-2-ylimidazol-4-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyrazine
CID 53236526
US9096589, 5,7-Dimethyl-2-[2-(1-methyl-4-thiophen-2-yl-1H-imidazol-2-yl)-ethyl]-[1,2,4]triazolo[1,5-a]pyrimidine
CID 53252086
1-[2-(pyrazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-2-thiophen-2-ylethanone
CID 97467491
7-(thiophen-2-ylmethyl)-3-(1,2,4-triazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine
CID 97471187
7-[[1-(thiophen-2-ylmethyl)tetrazol-5-yl]methyl]-2-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine
CID 92571366
1-methyl-N-[[7-[(5-methylthiophen-2-yl)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]methyl]pyrazole-4-carboxamide;2,2,2-trifluoroacetic acid
CID 118743758
N-[[5-(thiophen-2-ylmethyl)-4,6,7,8-tetrahydrotriazolo[1,5-a][1,4]diazepin-3-yl]methyl]pyrimidin-2-amine;2,2,2-trifluoroacetic acid
CID 118743783
8-[(5-Methylthiophen-2-yl)methyl]-6-(pyrazol-1-ylmethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepine;2,2,2-trifluoroacetic acid
CID 118744383
1-[2-(pyrazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-2-thiophen-2-ylethanone;2,2,2-trifluoroacetic acid
CID 118744889
7-(thiophen-2-ylmethyl)-3-(1,2,4-triazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine;2,2,2-trifluoroacetic acid
CID 118745021
1-[(5-Methyltriazol-1-yl)methyl]-8-(thiophen-2-ylmethyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepine;2,2,2-trifluoroacetic acid
CID 118745371
N-methyl-N-[[7-[(5-methylthiophen-2-yl)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-3-yl]methyl]propan-2-amine;bis(2,2,2-trifluoroacetic acid)
CID 118745924

Frequently Asked Questions

What is the IUPAC name of 3-(pyrazol-1-ylmethyl)-7-(thiophen-2-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine;2,2,2-trifluoroacetic acid?
The IUPAC name of 3-(pyrazol-1-ylmethyl)-7-(thiophen-2-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine;2,2,2-trifluoroacetic acid (CID 171673223) is 3-(pyrazol-1-ylmethyl)-7-(thiophen-2-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 3-(pyrazol-1-ylmethyl)-7-(thiophen-2-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine;2,2,2-trifluoroacetic acid?
The canonical SMILES for 3-(pyrazol-1-ylmethyl)-7-(thiophen-2-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine;2,2,2-trifluoroacetic acid is O=C(O)C(F)(F)F.c1csc(CN2CCn3c(Cn4cccn4)cnc3C2)c1.
What is the InChIKey of 3-(pyrazol-1-ylmethyl)-7-(thiophen-2-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine;2,2,2-trifluoroacetic acid?
The InChIKey is ZXHPARNBZJRMON-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N5S.C2HF3O2/c1-3-14(21-8-1)11-18-6-7-20-13(9-16-15(20)12-18)10-19-5-2-4-17-19;3-2(4,5)1(6)7/h1-5,8-9H,6-7,10-12H2;(H,6,7).
What are the key properties of 3-(pyrazol-1-ylmethyl)-7-(thiophen-2-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine;2,2,2-trifluoroacetic acid?
3-(pyrazol-1-ylmethyl)-7-(thiophen-2-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine;2,2,2-trifluoroacetic acid has a molecular weight of 413.43 g/mol, XLogP of 2.84, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(pyrazol-1-ylmethyl)-7-(thiophen-2-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 171673223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).