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

C18H18F3N3O3S — CID 155868769

IUPAC3-(furan-2-yl)-7-[(5-methylthiophen-2-yl)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine;2,2,2-trifluoroacetic acid
SMILESCc1ccc(CN2CCn3c(-c4ccco4)cnc3C2)s1.O=C(O)C(F)(F)F
InChIInChI=1S/C16H17N3OS.C2HF3O2/c1-12-4-5-13(21-12)10-18-6-7-19-14(9-17-16(19)11-18)15-3-2-8-20-15;3-2(4,5)1(6)7/h2-5,8-9H,6-7,10-11H2,1H3;(H,6,7)
InChIKeyRYSVOLIHBPGMLV-UHFFFAOYSA-N
MW413.42 g/mol
LogP4.16
Rot. Bonds3

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

3-(furan-2-yl)-7-[(5-methylthiophen-2-yl)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine;2,2,2-trifluoroacetic acid (PubChem CID 155868769) has the molecular formula C18H18F3N3O3S and a molecular weight of 413.42 g/mol. Its IUPAC name is 3-(furan-2-yl)-7-[(5-methylthiophen-2-yl)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name3-(furan-2-yl)-7-[(5-methylthiophen-2-yl)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine;2,2,2-trifluoroacetic acid
PubChem CID155868769
Molecular FormulaC18H18F3N3O3S
Molecular Weight413.42 g/mol
Exact Mass413.10
IUPAC Name3-(furan-2-yl)-7-[(5-methylthiophen-2-yl)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine;2,2,2-trifluoroacetic acid
SMILESCc1ccc(CN2CCn3c(-c4ccco4)cnc3C2)s1.O=C(O)C(F)(F)F
InChIInChI=1S/C16H17N3OS.C2HF3O2/c1-12-4-5-13(21-12)10-18-6-7-19-14(9-17-16(19)11-18)15-3-2-8-20-15;3-2(4,5)1(6)7/h2-5,8-9H,6-7,10-11H2,1H3;(H,6,7)
InChIKeyRYSVOLIHBPGMLV-UHFFFAOYSA-N
XLogP4.16
TPSA71.50 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.42
LogP ≤ 54.16
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-[(5-methylthiophen-2-yl)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine;2,2,2-trifluoroacetic acid?
The IUPAC name of 3-(furan-2-yl)-7-[(5-methylthiophen-2-yl)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine;2,2,2-trifluoroacetic acid (CID 155868769) is 3-(furan-2-yl)-7-[(5-methylthiophen-2-yl)methyl]-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-[(5-methylthiophen-2-yl)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine;2,2,2-trifluoroacetic acid?
The canonical SMILES for 3-(furan-2-yl)-7-[(5-methylthiophen-2-yl)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine;2,2,2-trifluoroacetic acid is Cc1ccc(CN2CCn3c(-c4ccco4)cnc3C2)s1.O=C(O)C(F)(F)F.
What is the InChIKey of 3-(furan-2-yl)-7-[(5-methylthiophen-2-yl)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine;2,2,2-trifluoroacetic acid?
The InChIKey is RYSVOLIHBPGMLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3OS.C2HF3O2/c1-12-4-5-13(21-12)10-18-6-7-19-14(9-17-16(19)11-18)15-3-2-8-20-15;3-2(4,5)1(6)7/h2-5,8-9H,6-7,10-11H2,1H3;(H,6,7).
What are the key properties of 3-(furan-2-yl)-7-[(5-methylthiophen-2-yl)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine;2,2,2-trifluoroacetic acid?
3-(furan-2-yl)-7-[(5-methylthiophen-2-yl)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine;2,2,2-trifluoroacetic acid has a molecular weight of 413.42 g/mol, XLogP of 4.16, 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-[(5-methylthiophen-2-yl)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 155868769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).