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[7-ethyl-3-(3-fluorophenyl)spiro[5,6-dihydroimidazo[1,2-a]pyrazine-8,4'-piperidine]-1'-yl]-(5-methyl-1,2-oxazol-3-yl)methanone;2,2,2-trifluoroacetic acid

C25H27F4N5O4 — CID 155869139

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC[7-ethyl-3-(3-fluorophenyl)spiro[5,6-dihydroimidazo[1,2-a]pyrazine-8,4'-piperidine]-1'-yl]-(5-methyl-1,2-oxazol-3-yl)methanone;2,2,2-trifluoroacetic acid
SMILESCCN1CCn2c(-c3cccc(F)c3)cnc2C12CCN(C(=O)c1cc(C)on1)CC2.O=C(O)C(F)(F)F
InChIInChI=1S/C23H26FN5O2.C2HF3O2/c1-3-28-11-12-29-20(17-5-4-6-18(24)14-17)15-25-22(29)23(28)7-9-27(10-8-23)21(30)19-13-16(2)31-26-19;3-2(4,5)1(6)7/h4-6,13-15H,3,7-12H2,1-2H3;(H,6,7)
InChIKeyHEVORONFTGHIBG-UHFFFAOYSA-N
MW537.51 g/mol
LogP4.09
Rot. Bonds3

About [7-ethyl-3-(3-fluorophenyl)spiro[5,6-dihydroimidazo[1,2-a]pyrazine-8,4'-piperidine]-1'-yl]-(5-methyl-1,2-oxazol-3-yl)methanone;2,2,2-trifluoroacetic acid

[7-ethyl-3-(3-fluorophenyl)spiro[5,6-dihydroimidazo[1,2-a]pyrazine-8,4'-piperidine]-1'-yl]-(5-methyl-1,2-oxazol-3-yl)methanone;2,2,2-trifluoroacetic acid (PubChem CID 155869139) has the molecular formula C25H27F4N5O4 and a molecular weight of 537.51 g/mol. Its IUPAC name is [7-ethyl-3-(3-fluorophenyl)spiro[5,6-dihydroimidazo[1,2-a]pyrazine-8,4'-piperidine]-1'-yl]-(5-methyl-1,2-oxazol-3-yl)methanone;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name[7-ethyl-3-(3-fluorophenyl)spiro[5,6-dihydroimidazo[1,2-a]pyrazine-8,4'-piperidine]-1'-yl]-(5-methyl-1,2-oxazol-3-yl)methanone;2,2,2-trifluoroacetic acid
PubChem CID155869139
Molecular FormulaC25H27F4N5O4
Molecular Weight537.51 g/mol
Exact Mass537.20
IUPAC Name[7-ethyl-3-(3-fluorophenyl)spiro[5,6-dihydroimidazo[1,2-a]pyrazine-8,4'-piperidine]-1'-yl]-(5-methyl-1,2-oxazol-3-yl)methanone;2,2,2-trifluoroacetic acid
SMILESCCN1CCn2c(-c3cccc(F)c3)cnc2C12CCN(C(=O)c1cc(C)on1)CC2.O=C(O)C(F)(F)F
InChIInChI=1S/C23H26FN5O2.C2HF3O2/c1-3-28-11-12-29-20(17-5-4-6-18(24)14-17)15-25-22(29)23(28)7-9-27(10-8-23)21(30)19-13-16(2)31-26-19;3-2(4,5)1(6)7/h4-6,13-15H,3,7-12H2,1-2H3;(H,6,7)
InChIKeyHEVORONFTGHIBG-UHFFFAOYSA-N
XLogP4.09
TPSA104.70 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500537.51
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze [7-ethyl-3-(3-fluorophenyl)spiro[5,6-dihydroimidazo[1,2-a]pyrazine-8,4'-piperidine]-1'-yl]-(5-methyl-1,2-oxazol-3-yl)methanone;2,2,2-trifluoroacetic acid with MolForge

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Frequently Asked Questions

What is the IUPAC name of [7-ethyl-3-(3-fluorophenyl)spiro[5,6-dihydroimidazo[1,2-a]pyrazine-8,4'-piperidine]-1'-yl]-(5-methyl-1,2-oxazol-3-yl)methanone;2,2,2-trifluoroacetic acid?
The IUPAC name of [7-ethyl-3-(3-fluorophenyl)spiro[5,6-dihydroimidazo[1,2-a]pyrazine-8,4'-piperidine]-1'-yl]-(5-methyl-1,2-oxazol-3-yl)methanone;2,2,2-trifluoroacetic acid (CID 155869139) is [7-ethyl-3-(3-fluorophenyl)spiro[5,6-dihydroimidazo[1,2-a]pyrazine-8,4'-piperidine]-1'-yl]-(5-methyl-1,2-oxazol-3-yl)methanone;2,2,2-trifluoroacetic acid.
What is the SMILES notation for [7-ethyl-3-(3-fluorophenyl)spiro[5,6-dihydroimidazo[1,2-a]pyrazine-8,4'-piperidine]-1'-yl]-(5-methyl-1,2-oxazol-3-yl)methanone;2,2,2-trifluoroacetic acid?
The canonical SMILES for [7-ethyl-3-(3-fluorophenyl)spiro[5,6-dihydroimidazo[1,2-a]pyrazine-8,4'-piperidine]-1'-yl]-(5-methyl-1,2-oxazol-3-yl)methanone;2,2,2-trifluoroacetic acid is CCN1CCn2c(-c3cccc(F)c3)cnc2C12CCN(C(=O)c1cc(C)on1)CC2.O=C(O)C(F)(F)F.
What is the InChIKey of [7-ethyl-3-(3-fluorophenyl)spiro[5,6-dihydroimidazo[1,2-a]pyrazine-8,4'-piperidine]-1'-yl]-(5-methyl-1,2-oxazol-3-yl)methanone;2,2,2-trifluoroacetic acid?
The InChIKey is HEVORONFTGHIBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26FN5O2.C2HF3O2/c1-3-28-11-12-29-20(17-5-4-6-18(24)14-17)15-25-22(29)23(28)7-9-27(10-8-23)21(30)19-13-16(2)31-26-19;3-2(4,5)1(6)7/h4-6,13-15H,3,7-12H2,1-2H3;(H,6,7).
What are the key properties of [7-ethyl-3-(3-fluorophenyl)spiro[5,6-dihydroimidazo[1,2-a]pyrazine-8,4'-piperidine]-1'-yl]-(5-methyl-1,2-oxazol-3-yl)methanone;2,2,2-trifluoroacetic acid?
[7-ethyl-3-(3-fluorophenyl)spiro[5,6-dihydroimidazo[1,2-a]pyrazine-8,4'-piperidine]-1'-yl]-(5-methyl-1,2-oxazol-3-yl)methanone;2,2,2-trifluoroacetic acid has a molecular weight of 537.51 g/mol, XLogP of 4.09, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [7-ethyl-3-(3-fluorophenyl)spiro[5,6-dihydroimidazo[1,2-a]pyrazine-8,4'-piperidine]-1'-yl]-(5-methyl-1,2-oxazol-3-yl)methanone;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 155869139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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