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

C17H18F3N5O2S — CID 155841253

IUPAC2-(pyrazol-1-ylmethyl)-7-(thiophen-3-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine;2,2,2-trifluoroacetic acid
SMILESO=C(O)C(F)(F)F.c1cnn(Cc2cn3c(n2)CN(Cc2ccsc2)CC3)c1
InChIInChI=1S/C15H17N5S.C2HF3O2/c1-3-16-20(4-1)10-14-9-19-6-5-18(11-15(19)17-14)8-13-2-7-21-12-13;3-2(4,5)1(6)7/h1-4,7,9,12H,5-6,8,10-11H2;(H,6,7)
InChIKeyMOAQGTAIUYUOAM-UHFFFAOYSA-N
MW413.43 g/mol
LogP2.84
Rot. Bonds4

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

2-(pyrazol-1-ylmethyl)-7-(thiophen-3-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine;2,2,2-trifluoroacetic acid (PubChem CID 155841253) has the molecular formula C17H18F3N5O2S and a molecular weight of 413.43 g/mol. Its IUPAC name is 2-(pyrazol-1-ylmethyl)-7-(thiophen-3-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name2-(pyrazol-1-ylmethyl)-7-(thiophen-3-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine;2,2,2-trifluoroacetic acid
PubChem CID155841253
Molecular FormulaC17H18F3N5O2S
Molecular Weight413.43 g/mol
Exact Mass413.11
IUPAC Name2-(pyrazol-1-ylmethyl)-7-(thiophen-3-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine;2,2,2-trifluoroacetic acid
SMILESO=C(O)C(F)(F)F.c1cnn(Cc2cn3c(n2)CN(Cc2ccsc2)CC3)c1
InChIInChI=1S/C15H17N5S.C2HF3O2/c1-3-16-20(4-1)10-14-9-19-6-5-18(11-15(19)17-14)8-13-2-7-21-12-13;3-2(4,5)1(6)7/h1-4,7,9,12H,5-6,8,10-11H2;(H,6,7)
InChIKeyMOAQGTAIUYUOAM-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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Frequently Asked Questions

What is the IUPAC name of 2-(pyrazol-1-ylmethyl)-7-(thiophen-3-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine;2,2,2-trifluoroacetic acid?
The IUPAC name of 2-(pyrazol-1-ylmethyl)-7-(thiophen-3-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine;2,2,2-trifluoroacetic acid (CID 155841253) is 2-(pyrazol-1-ylmethyl)-7-(thiophen-3-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 2-(pyrazol-1-ylmethyl)-7-(thiophen-3-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine;2,2,2-trifluoroacetic acid?
The canonical SMILES for 2-(pyrazol-1-ylmethyl)-7-(thiophen-3-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine;2,2,2-trifluoroacetic acid is O=C(O)C(F)(F)F.c1cnn(Cc2cn3c(n2)CN(Cc2ccsc2)CC3)c1.
What is the InChIKey of 2-(pyrazol-1-ylmethyl)-7-(thiophen-3-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine;2,2,2-trifluoroacetic acid?
The InChIKey is MOAQGTAIUYUOAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N5S.C2HF3O2/c1-3-16-20(4-1)10-14-9-19-6-5-18(11-15(19)17-14)8-13-2-7-21-12-13;3-2(4,5)1(6)7/h1-4,7,9,12H,5-6,8,10-11H2;(H,6,7).
What are the key properties of 2-(pyrazol-1-ylmethyl)-7-(thiophen-3-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine;2,2,2-trifluoroacetic acid?
2-(pyrazol-1-ylmethyl)-7-(thiophen-3-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 2-(pyrazol-1-ylmethyl)-7-(thiophen-3-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 155841253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).