1-(7-ethyl-3-methylspiro[5,6-dihydroimidazo[1,2-a]pyrazine-8,4'-piperidine]-1'-yl)-2-phenylethanone;bis(2,2,2-trifluoroacetic acid)

C25H30F6N4O5 — CID 118745942

IUPAC1-(7-ethyl-3-methylspiro[5,6-dihydroimidazo[1,2-a]pyrazine-8,4'-piperidine]-1'-yl)-2-phenylethanone;bis(2,2,2-trifluoroacetic acid)
SMILESCCN1CCn2c(C)cnc2C12CCN(C(=O)Cc1ccccc1)CC2.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F
InChIInChI=1S/C21H28N4O.2C2HF3O2/c1-3-24-13-14-25-17(2)16-22-20(25)21(24)9-11-23(12-10-21)19(26)15-18-7-5-4-6-8-18;2*3-2(4,5)1(6)7/h4-8,16H,3,9-15H2,1-2H3;2*(H,6,7)
InChIKeyRZZGWGXIUMIOSJ-UHFFFAOYSA-N
MW580.53 g/mol
LogP3.85
Rot. Bonds3

About 1-(7-ethyl-3-methylspiro[5,6-dihydroimidazo[1,2-a]pyrazine-8,4'-piperidine]-1'-yl)-2-phenylethanone;bis(2,2,2-trifluoroacetic acid)

1-(7-ethyl-3-methylspiro[5,6-dihydroimidazo[1,2-a]pyrazine-8,4'-piperidine]-1'-yl)-2-phenylethanone;bis(2,2,2-trifluoroacetic acid) (PubChem CID 118745942) has the molecular formula C25H30F6N4O5 and a molecular weight of 580.53 g/mol. Its IUPAC name is 1-(7-ethyl-3-methylspiro[5,6-dihydroimidazo[1,2-a]pyrazine-8,4'-piperidine]-1'-yl)-2-phenylethanone;bis(2,2,2-trifluoroacetic acid).

Molecular Properties

Compound Name1-(7-ethyl-3-methylspiro[5,6-dihydroimidazo[1,2-a]pyrazine-8,4'-piperidine]-1'-yl)-2-phenylethanone;bis(2,2,2-trifluoroacetic acid)
PubChem CID118745942
Molecular FormulaC25H30F6N4O5
Molecular Weight580.53 g/mol
Exact Mass580.21
IUPAC Name1-(7-ethyl-3-methylspiro[5,6-dihydroimidazo[1,2-a]pyrazine-8,4'-piperidine]-1'-yl)-2-phenylethanone;bis(2,2,2-trifluoroacetic acid)
SMILESCCN1CCn2c(C)cnc2C12CCN(C(=O)Cc1ccccc1)CC2.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F
InChIInChI=1S/C21H28N4O.2C2HF3O2/c1-3-24-13-14-25-17(2)16-22-20(25)21(24)9-11-23(12-10-21)19(26)15-18-7-5-4-6-8-18;2*3-2(4,5)1(6)7/h4-8,16H,3,9-15H2,1-2H3;2*(H,6,7)
InChIKeyRZZGWGXIUMIOSJ-UHFFFAOYSA-N
XLogP3.85
TPSA115.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500580.53
LogP ≤ 53.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 1-(7-ethyl-3-methylspiro[5,6-dihydroimidazo[1,2-a]pyrazine-8,4'-piperidine]-1'-yl)-2-phenylethanone;bis(2,2,2-trifluoroacetic acid) with MolForge

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Related Compounds

7-ethyl-N,3-dimethylspiro[5,6-dihydroimidazo[1,2-a]pyrazine-8,4'-piperidine]-1'-carboxamide;2,2,2-trifluoroacetic acid
CID 118743304
1-(7-ethyl-3-phenylspiro[5,6-dihydroimidazo[1,2-a]pyrazine-8,4'-piperidine]-1'-yl)-2-methylpropan-1-one;2,2,2-trifluoroacetic acid
CID 155857877
7-ethyl-3-methyl-1'-(thiophen-3-ylmethyl)spiro[5,6-dihydroimidazo[1,2-a]pyrazine-8,4'-piperidine];tris(2,2,2-trifluoroacetic acid)
CID 155825367
(7-ethyl-3-phenylspiro[5,6-dihydroimidazo[1,2-a]pyrazine-8,4'-piperidine]-1'-yl)-pyridin-2-ylmethanone;tris(2,2,2-trifluoroacetic acid)
CID 155837576
1-(3,7-dimethylspiro[5,6-dihydroimidazo[1,2-a]pyrazine-8,4'-piperidine]-1'-yl)ethanone;2,2,2-trifluoroacetic acid
CID 155857964
(7-ethyl-3-phenylspiro[5,6-dihydroimidazo[1,2-a]pyrazine-8,4'-piperidine]-1'-yl)-pyridin-3-ylmethanone;tris(2,2,2-trifluoroacetic acid)
CID 155833109
7-ethyl-1'-(furan-3-ylmethyl)-3-phenylspiro[5,6-dihydroimidazo[1,2-a]pyrazine-8,4'-piperidine];tris(2,2,2-trifluoroacetic acid)
CID 155842020
7-ethyl-1'-[(1-methylpyrazol-4-yl)methyl]-3-phenylspiro[5,6-dihydroimidazo[1,2-a]pyrazine-8,4'-piperidine];tris(2,2,2-trifluoroacetic acid)
CID 155845885
N-benzyl-7-ethyl-3-phenylspiro[5,6-dihydroimidazo[1,2-a]pyrazine-8,4'-piperidine]-1'-carboxamide
CID 97440535
2-[(7-ethyl-3-phenylspiro[5,6-dihydroimidazo[1,2-a]pyrazine-8,4'-piperidine]-1'-yl)methyl]-1,3-thiazole;tris(2,2,2-trifluoroacetic acid)
CID 155825736
[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
7-ethyl-3-(1-methylpyrazol-4-yl)-1'-(pyridin-3-ylmethyl)spiro[5,6-dihydroimidazo[1,2-a]pyrazine-8,4'-piperidine];tetrakis(2,2,2-trifluoroacetic acid)
CID 155841425

Frequently Asked Questions

What is the IUPAC name of 1-(7-ethyl-3-methylspiro[5,6-dihydroimidazo[1,2-a]pyrazine-8,4'-piperidine]-1'-yl)-2-phenylethanone;bis(2,2,2-trifluoroacetic acid)?
The IUPAC name of 1-(7-ethyl-3-methylspiro[5,6-dihydroimidazo[1,2-a]pyrazine-8,4'-piperidine]-1'-yl)-2-phenylethanone;bis(2,2,2-trifluoroacetic acid) (CID 118745942) is 1-(7-ethyl-3-methylspiro[5,6-dihydroimidazo[1,2-a]pyrazine-8,4'-piperidine]-1'-yl)-2-phenylethanone;bis(2,2,2-trifluoroacetic acid).
What is the SMILES notation for 1-(7-ethyl-3-methylspiro[5,6-dihydroimidazo[1,2-a]pyrazine-8,4'-piperidine]-1'-yl)-2-phenylethanone;bis(2,2,2-trifluoroacetic acid)?
The canonical SMILES for 1-(7-ethyl-3-methylspiro[5,6-dihydroimidazo[1,2-a]pyrazine-8,4'-piperidine]-1'-yl)-2-phenylethanone;bis(2,2,2-trifluoroacetic acid) is CCN1CCn2c(C)cnc2C12CCN(C(=O)Cc1ccccc1)CC2.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.
What is the InChIKey of 1-(7-ethyl-3-methylspiro[5,6-dihydroimidazo[1,2-a]pyrazine-8,4'-piperidine]-1'-yl)-2-phenylethanone;bis(2,2,2-trifluoroacetic acid)?
The InChIKey is RZZGWGXIUMIOSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N4O.2C2HF3O2/c1-3-24-13-14-25-17(2)16-22-20(25)21(24)9-11-23(12-10-21)19(26)15-18-7-5-4-6-8-18;2*3-2(4,5)1(6)7/h4-8,16H,3,9-15H2,1-2H3;2*(H,6,7).
What are the key properties of 1-(7-ethyl-3-methylspiro[5,6-dihydroimidazo[1,2-a]pyrazine-8,4'-piperidine]-1'-yl)-2-phenylethanone;bis(2,2,2-trifluoroacetic acid)?
1-(7-ethyl-3-methylspiro[5,6-dihydroimidazo[1,2-a]pyrazine-8,4'-piperidine]-1'-yl)-2-phenylethanone;bis(2,2,2-trifluoroacetic acid) has a molecular weight of 580.53 g/mol, XLogP of 3.85, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7-ethyl-3-methylspiro[5,6-dihydroimidazo[1,2-a]pyrazine-8,4'-piperidine]-1'-yl)-2-phenylethanone;bis(2,2,2-trifluoroacetic acid) is sourced from PubChem (CID 118745942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).