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

C17H16F3N3O3S — CID 155850911

IUPAC3-(furan-2-yl)-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.c1coc(-c2cnc3n2CCN(Cc2cccs2)C3)c1
InChIInChI=1S/C15H15N3OS.C2HF3O2/c1-4-14(19-7-1)13-9-16-15-11-17(5-6-18(13)15)10-12-3-2-8-20-12;3-2(4,5)1(6)7/h1-4,7-9H,5-6,10-11H2;(H,6,7)
InChIKeyPWGKDBDHMTUFIL-UHFFFAOYSA-N
MW399.39 g/mol
LogP3.85
Rot. Bonds3

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

3-(furan-2-yl)-7-(thiophen-2-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine;2,2,2-trifluoroacetic acid (PubChem CID 155850911) has the molecular formula C17H16F3N3O3S and a molecular weight of 399.39 g/mol. Its IUPAC name is 3-(furan-2-yl)-7-(thiophen-2-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name3-(furan-2-yl)-7-(thiophen-2-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine;2,2,2-trifluoroacetic acid
PubChem CID155850911
Molecular FormulaC17H16F3N3O3S
Molecular Weight399.39 g/mol
Exact Mass399.09
IUPAC Name3-(furan-2-yl)-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.c1coc(-c2cnc3n2CCN(Cc2cccs2)C3)c1
InChIInChI=1S/C15H15N3OS.C2HF3O2/c1-4-14(19-7-1)13-9-16-15-11-17(5-6-18(13)15)10-12-3-2-8-20-12;3-2(4,5)1(6)7/h1-4,7-9H,5-6,10-11H2;(H,6,7)
InChIKeyPWGKDBDHMTUFIL-UHFFFAOYSA-N
XLogP3.85
TPSA71.50 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.39
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(furan-2-yl)-7-(thiophen-2-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine;2,2,2-trifluoroacetic acid?
The IUPAC name of 3-(furan-2-yl)-7-(thiophen-2-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine;2,2,2-trifluoroacetic acid (CID 155850911) is 3-(furan-2-yl)-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-(furan-2-yl)-7-(thiophen-2-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine;2,2,2-trifluoroacetic acid?
The canonical SMILES for 3-(furan-2-yl)-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.c1coc(-c2cnc3n2CCN(Cc2cccs2)C3)c1.
What is the InChIKey of 3-(furan-2-yl)-7-(thiophen-2-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine;2,2,2-trifluoroacetic acid?
The InChIKey is PWGKDBDHMTUFIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3OS.C2HF3O2/c1-4-14(19-7-1)13-9-16-15-11-17(5-6-18(13)15)10-12-3-2-8-20-12;3-2(4,5)1(6)7/h1-4,7-9H,5-6,10-11H2;(H,6,7).
What are the key properties of 3-(furan-2-yl)-7-(thiophen-2-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine;2,2,2-trifluoroacetic acid?
3-(furan-2-yl)-7-(thiophen-2-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine;2,2,2-trifluoroacetic acid has a molecular weight of 399.39 g/mol, XLogP of 3.85, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(furan-2-yl)-7-(thiophen-2-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 155850911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).