1-(3,7-dimethylspiro[5,6-dihydroimidazo[1,2-a]pyrazine-8,4'-piperidine]-1'-yl)-3-methylbutan-1-one;2,2,2-trifluoroacetic acid

C19H29F3N4O3 — CID 118744082

IUPAC1-(3,7-dimethylspiro[5,6-dihydroimidazo[1,2-a]pyrazine-8,4'-piperidine]-1'-yl)-3-methylbutan-1-one;2,2,2-trifluoroacetic acid
SMILESCc1cnc2n1CCN(C)C21CCN(C(=O)CC(C)C)CC1.O=C(O)C(F)(F)F
InChIInChI=1S/C17H28N4O.C2HF3O2/c1-13(2)11-15(22)20-7-5-17(6-8-20)16-18-12-14(3)21(16)10-9-19(17)4;3-2(4,5)1(6)7/h12-13H,5-11H2,1-4H3;(H,6,7)
InChIKeyFFWABZLPZHHUBM-UHFFFAOYSA-N
MW418.46 g/mol
LogP2.63
Rot. Bonds2

About 1-(3,7-dimethylspiro[5,6-dihydroimidazo[1,2-a]pyrazine-8,4'-piperidine]-1'-yl)-3-methylbutan-1-one;2,2,2-trifluoroacetic acid

1-(3,7-dimethylspiro[5,6-dihydroimidazo[1,2-a]pyrazine-8,4'-piperidine]-1'-yl)-3-methylbutan-1-one;2,2,2-trifluoroacetic acid (PubChem CID 118744082) has the molecular formula C19H29F3N4O3 and a molecular weight of 418.46 g/mol. Its IUPAC name is 1-(3,7-dimethylspiro[5,6-dihydroimidazo[1,2-a]pyrazine-8,4'-piperidine]-1'-yl)-3-methylbutan-1-one;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name1-(3,7-dimethylspiro[5,6-dihydroimidazo[1,2-a]pyrazine-8,4'-piperidine]-1'-yl)-3-methylbutan-1-one;2,2,2-trifluoroacetic acid
PubChem CID118744082
Molecular FormulaC19H29F3N4O3
Molecular Weight418.46 g/mol
Exact Mass418.22
IUPAC Name1-(3,7-dimethylspiro[5,6-dihydroimidazo[1,2-a]pyrazine-8,4'-piperidine]-1'-yl)-3-methylbutan-1-one;2,2,2-trifluoroacetic acid
SMILESCc1cnc2n1CCN(C)C21CCN(C(=O)CC(C)C)CC1.O=C(O)C(F)(F)F
InChIInChI=1S/C17H28N4O.C2HF3O2/c1-13(2)11-15(22)20-7-5-17(6-8-20)16-18-12-14(3)21(16)10-9-19(17)4;3-2(4,5)1(6)7/h12-13H,5-11H2,1-4H3;(H,6,7)
InChIKeyFFWABZLPZHHUBM-UHFFFAOYSA-N
XLogP2.63
TPSA78.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.46
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-(3,7-dimethylspiro[5,6-dihydroimidazo[1,2-a]pyrazine-8,4'-piperidine]-1'-yl)-3-methylbutan-1-one;2,2,2-trifluoroacetic acid with MolForge

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Related Compounds

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CID 124047362
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CID 118743198
CID 118743198
CID 118743301
CID 118743301
CID 118743304
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CID 118743378
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CID 118743520
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CID 118744239
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CID 118745404

Frequently Asked Questions

What is the IUPAC name of 1-(3,7-dimethylspiro[5,6-dihydroimidazo[1,2-a]pyrazine-8,4'-piperidine]-1'-yl)-3-methylbutan-1-one;2,2,2-trifluoroacetic acid?
The IUPAC name of 1-(3,7-dimethylspiro[5,6-dihydroimidazo[1,2-a]pyrazine-8,4'-piperidine]-1'-yl)-3-methylbutan-1-one;2,2,2-trifluoroacetic acid (CID 118744082) is 1-(3,7-dimethylspiro[5,6-dihydroimidazo[1,2-a]pyrazine-8,4'-piperidine]-1'-yl)-3-methylbutan-1-one;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 1-(3,7-dimethylspiro[5,6-dihydroimidazo[1,2-a]pyrazine-8,4'-piperidine]-1'-yl)-3-methylbutan-1-one;2,2,2-trifluoroacetic acid?
The canonical SMILES for 1-(3,7-dimethylspiro[5,6-dihydroimidazo[1,2-a]pyrazine-8,4'-piperidine]-1'-yl)-3-methylbutan-1-one;2,2,2-trifluoroacetic acid is Cc1cnc2n1CCN(C)C21CCN(C(=O)CC(C)C)CC1.O=C(O)C(F)(F)F.
What is the InChIKey of 1-(3,7-dimethylspiro[5,6-dihydroimidazo[1,2-a]pyrazine-8,4'-piperidine]-1'-yl)-3-methylbutan-1-one;2,2,2-trifluoroacetic acid?
The InChIKey is FFWABZLPZHHUBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N4O.C2HF3O2/c1-13(2)11-15(22)20-7-5-17(6-8-20)16-18-12-14(3)21(16)10-9-19(17)4;3-2(4,5)1(6)7/h12-13H,5-11H2,1-4H3;(H,6,7).
What are the key properties of 1-(3,7-dimethylspiro[5,6-dihydroimidazo[1,2-a]pyrazine-8,4'-piperidine]-1'-yl)-3-methylbutan-1-one;2,2,2-trifluoroacetic acid?
1-(3,7-dimethylspiro[5,6-dihydroimidazo[1,2-a]pyrazine-8,4'-piperidine]-1'-yl)-3-methylbutan-1-one;2,2,2-trifluoroacetic acid has a molecular weight of 418.46 g/mol, XLogP of 2.63, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,7-dimethylspiro[5,6-dihydroimidazo[1,2-a]pyrazine-8,4'-piperidine]-1'-yl)-3-methylbutan-1-one;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 118744082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).