7-ethyl-N,3-dimethylspiro[5,6-dihydroimidazo[1,2-a]pyrazine-8,4'-piperidine]-1'-carboxamide;2,2,2-trifluoroacetic acid

C17H26F3N5O3 — CID 118743304

IUPAC7-ethyl-N,3-dimethylspiro[5,6-dihydroimidazo[1,2-a]pyrazine-8,4'-piperidine]-1'-carboxamide;2,2,2-trifluoroacetic acid
SMILESCCN1CCn2c(C)cnc2C12CCN(C(=O)NC)CC2.O=C(O)C(F)(F)F
InChIInChI=1S/C15H25N5O.C2HF3O2/c1-4-19-9-10-20-12(2)11-17-13(20)15(19)5-7-18(8-6-15)14(21)16-3;3-2(4,5)1(6)7/h11H,4-10H2,1-3H3,(H,16,21);(H,6,7)
InChIKeyJZTDIMULTXKYTN-UHFFFAOYSA-N
MW405.42 g/mol
LogP1.79
Rot. Bonds1

About 7-ethyl-N,3-dimethylspiro[5,6-dihydroimidazo[1,2-a]pyrazine-8,4'-piperidine]-1'-carboxamide;2,2,2-trifluoroacetic acid

7-ethyl-N,3-dimethylspiro[5,6-dihydroimidazo[1,2-a]pyrazine-8,4'-piperidine]-1'-carboxamide;2,2,2-trifluoroacetic acid (PubChem CID 118743304) has the molecular formula C17H26F3N5O3 and a molecular weight of 405.42 g/mol. Its IUPAC name is 7-ethyl-N,3-dimethylspiro[5,6-dihydroimidazo[1,2-a]pyrazine-8,4'-piperidine]-1'-carboxamide;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name7-ethyl-N,3-dimethylspiro[5,6-dihydroimidazo[1,2-a]pyrazine-8,4'-piperidine]-1'-carboxamide;2,2,2-trifluoroacetic acid
PubChem CID118743304
Molecular FormulaC17H26F3N5O3
Molecular Weight405.42 g/mol
Exact Mass405.20
IUPAC Name7-ethyl-N,3-dimethylspiro[5,6-dihydroimidazo[1,2-a]pyrazine-8,4'-piperidine]-1'-carboxamide;2,2,2-trifluoroacetic acid
SMILESCCN1CCn2c(C)cnc2C12CCN(C(=O)NC)CC2.O=C(O)C(F)(F)F
InChIInChI=1S/C15H25N5O.C2HF3O2/c1-4-19-9-10-20-12(2)11-17-13(20)15(19)5-7-18(8-6-15)14(21)16-3;3-2(4,5)1(6)7/h11H,4-10H2,1-3H3,(H,16,21);(H,6,7)
InChIKeyJZTDIMULTXKYTN-UHFFFAOYSA-N
XLogP1.79
TPSA90.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.42
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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
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
1-(3,7-dimethylspiro[5,6-dihydroimidazo[1,2-a]pyrazine-8,4'-piperidine]-1'-yl)ethanone;2,2,2-trifluoroacetic acid
CID 155857964
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-phenylspiro[5,6-dihydroimidazo[1,2-a]pyrazine-8,4'-piperidine]-1'-yl)-pyridin-2-ylmethanone;tris(2,2,2-trifluoroacetic acid)
CID 155837576
(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-3-methyl-1'-pyrimidin-2-ylspiro[5,6-dihydroimidazo[1,2-a]pyrazine-8,4'-piperidine]
CID 97440550
7-ethyl-1'-ethylsulfonyl-3-(1-methylpyrazol-4-yl)spiro[5,6-dihydroimidazo[1,2-a]pyrazine-8,4'-piperidine];tris(2,2,2-trifluoroacetic acid)
CID 155869592
N-benzyl-7-ethyl-3-phenylspiro[5,6-dihydroimidazo[1,2-a]pyrazine-8,4'-piperidine]-1'-carboxamide
CID 97440535
[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-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

Frequently Asked Questions

What is the IUPAC name of 7-ethyl-N,3-dimethylspiro[5,6-dihydroimidazo[1,2-a]pyrazine-8,4'-piperidine]-1'-carboxamide;2,2,2-trifluoroacetic acid?
The IUPAC name of 7-ethyl-N,3-dimethylspiro[5,6-dihydroimidazo[1,2-a]pyrazine-8,4'-piperidine]-1'-carboxamide;2,2,2-trifluoroacetic acid (CID 118743304) is 7-ethyl-N,3-dimethylspiro[5,6-dihydroimidazo[1,2-a]pyrazine-8,4'-piperidine]-1'-carboxamide;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 7-ethyl-N,3-dimethylspiro[5,6-dihydroimidazo[1,2-a]pyrazine-8,4'-piperidine]-1'-carboxamide;2,2,2-trifluoroacetic acid?
The canonical SMILES for 7-ethyl-N,3-dimethylspiro[5,6-dihydroimidazo[1,2-a]pyrazine-8,4'-piperidine]-1'-carboxamide;2,2,2-trifluoroacetic acid is CCN1CCn2c(C)cnc2C12CCN(C(=O)NC)CC2.O=C(O)C(F)(F)F.
What is the InChIKey of 7-ethyl-N,3-dimethylspiro[5,6-dihydroimidazo[1,2-a]pyrazine-8,4'-piperidine]-1'-carboxamide;2,2,2-trifluoroacetic acid?
The InChIKey is JZTDIMULTXKYTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N5O.C2HF3O2/c1-4-19-9-10-20-12(2)11-17-13(20)15(19)5-7-18(8-6-15)14(21)16-3;3-2(4,5)1(6)7/h11H,4-10H2,1-3H3,(H,16,21);(H,6,7).
What are the key properties of 7-ethyl-N,3-dimethylspiro[5,6-dihydroimidazo[1,2-a]pyrazine-8,4'-piperidine]-1'-carboxamide;2,2,2-trifluoroacetic acid?
7-ethyl-N,3-dimethylspiro[5,6-dihydroimidazo[1,2-a]pyrazine-8,4'-piperidine]-1'-carboxamide;2,2,2-trifluoroacetic acid has a molecular weight of 405.42 g/mol, XLogP of 1.79, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-ethyl-N,3-dimethylspiro[5,6-dihydroimidazo[1,2-a]pyrazine-8,4'-piperidine]-1'-carboxamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 118743304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).