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

C22H26F9N5O6S — CID 155829346

IUPAC2-[(3,7-dimethylspiro[5,6-dihydroimidazo[1,2-a]pyrazine-8,4'-piperidine]-1'-yl)methyl]-1,3-thiazole;tris(2,2,2-trifluoroacetic acid)
SMILESCc1cnc2n1CCN(C)C21CCN(Cc2nccs2)CC1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F
InChIInChI=1S/C16H23N5S.3C2HF3O2/c1-13-11-18-15-16(19(2)8-9-21(13)15)3-6-20(7-4-16)12-14-17-5-10-22-14;3*3-2(4,5)1(6)7/h5,10-11H,3-4,6-9,12H2,1-2H3;3*(H,6,7)
InChIKeyIAVDLBYKSJLMQJ-UHFFFAOYSA-N
MW659.53 g/mol
LogP3.98
Rot. Bonds2

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

2-[(3,7-dimethylspiro[5,6-dihydroimidazo[1,2-a]pyrazine-8,4'-piperidine]-1'-yl)methyl]-1,3-thiazole;tris(2,2,2-trifluoroacetic acid) (PubChem CID 155829346) has the molecular formula C22H26F9N5O6S and a molecular weight of 659.53 g/mol. Its IUPAC name is 2-[(3,7-dimethylspiro[5,6-dihydroimidazo[1,2-a]pyrazine-8,4'-piperidine]-1'-yl)methyl]-1,3-thiazole;tris(2,2,2-trifluoroacetic acid).

Molecular Properties

Compound Name2-[(3,7-dimethylspiro[5,6-dihydroimidazo[1,2-a]pyrazine-8,4'-piperidine]-1'-yl)methyl]-1,3-thiazole;tris(2,2,2-trifluoroacetic acid)
PubChem CID155829346
Molecular FormulaC22H26F9N5O6S
Molecular Weight659.53 g/mol
Exact Mass659.15
IUPAC Name2-[(3,7-dimethylspiro[5,6-dihydroimidazo[1,2-a]pyrazine-8,4'-piperidine]-1'-yl)methyl]-1,3-thiazole;tris(2,2,2-trifluoroacetic acid)
SMILESCc1cnc2n1CCN(C)C21CCN(Cc2nccs2)CC1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F
InChIInChI=1S/C16H23N5S.3C2HF3O2/c1-13-11-18-15-16(19(2)8-9-21(13)15)3-6-20(7-4-16)12-14-17-5-10-22-14;3*3-2(4,5)1(6)7/h5,10-11H,3-4,6-9,12H2,1-2H3;3*(H,6,7)
InChIKeyIAVDLBYKSJLMQJ-UHFFFAOYSA-N
XLogP3.98
TPSA149.09 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds2
Heavy Atoms43
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500659.53
LogP ≤ 53.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

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

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Related Compounds

(7-Ethyl-3-methylspiro[5,6-dihydroimidazo[1,2-a]pyrazine-8,4'-piperidine]-1'-yl)-(1,3-thiazol-4-yl)methanone;bis(2,2,2-trifluoroacetic acid)
CID 118745940
N-methyl-N-(1,3-thiazol-2-ylmethyl)-1-[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methanamine
CID 128967156
N-methyl-N-(1,3-thiazol-2-ylmethyl)-1-[(6S)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methanamine
CID 129342727
N-methyl-N-(1,3-thiazol-2-ylmethyl)-1-[(6R)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methanamine
CID 129342728
N-ethyl-N-[[7-(1,3-thiazol-2-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]methyl]ethanamine;bis(2,2,2-trifluoroacetic acid)
CID 155825247
N-methyl-N-[[7-(1,3-thiazol-2-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]methyl]propan-2-amine;bis(2,2,2-trifluoroacetic acid)
CID 155830766
2-[(7-Ethyl-3-methylspiro[5,6-dihydroimidazo[1,2-a]pyrazine-8,4'-piperidine]-1'-yl)methyl]-1,3-thiazole;tris(2,2,2-trifluoroacetic acid)
CID 155831960
2-[[3-[(4-methylpiperazin-1-yl)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methyl]-1,3-thiazole;tris(2,2,2-trifluoroacetic acid)
CID 155835174
N-methyl-N-[[7-[(2-methyl-1,3-thiazol-4-yl)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-3-yl]methyl]propan-2-amine;bis(2,2,2-trifluoroacetic acid)
CID 155835456
2-[(1',2-Dimethyl-3-propan-2-ylspiro[4,6-dihydroimidazo[4,5-c]pyridine-7,4'-piperidine]-5-yl)methyl]-1,3-thiazole;bis(2,2,2-trifluoroacetic acid)
CID 155839932
2-[[9-[(1-Methylimidazol-2-yl)methyl]-3,9-diazaspiro[5.5]undecan-3-yl]methyl]-1,3-thiazole;bis(2,2,2-trifluoroacetic acid)
CID 155840730
2-[[8-methyl-3-[(4-methylpiperazin-1-yl)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methyl]-1,3-thiazole;tris(2,2,2-trifluoroacetic acid)
CID 155845569

Frequently Asked Questions

What is the IUPAC name of 2-[(3,7-dimethylspiro[5,6-dihydroimidazo[1,2-a]pyrazine-8,4'-piperidine]-1'-yl)methyl]-1,3-thiazole;tris(2,2,2-trifluoroacetic acid)?
The IUPAC name of 2-[(3,7-dimethylspiro[5,6-dihydroimidazo[1,2-a]pyrazine-8,4'-piperidine]-1'-yl)methyl]-1,3-thiazole;tris(2,2,2-trifluoroacetic acid) (CID 155829346) is 2-[(3,7-dimethylspiro[5,6-dihydroimidazo[1,2-a]pyrazine-8,4'-piperidine]-1'-yl)methyl]-1,3-thiazole;tris(2,2,2-trifluoroacetic acid).
What is the SMILES notation for 2-[(3,7-dimethylspiro[5,6-dihydroimidazo[1,2-a]pyrazine-8,4'-piperidine]-1'-yl)methyl]-1,3-thiazole;tris(2,2,2-trifluoroacetic acid)?
The canonical SMILES for 2-[(3,7-dimethylspiro[5,6-dihydroimidazo[1,2-a]pyrazine-8,4'-piperidine]-1'-yl)methyl]-1,3-thiazole;tris(2,2,2-trifluoroacetic acid) is Cc1cnc2n1CCN(C)C21CCN(Cc2nccs2)CC1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.
What is the InChIKey of 2-[(3,7-dimethylspiro[5,6-dihydroimidazo[1,2-a]pyrazine-8,4'-piperidine]-1'-yl)methyl]-1,3-thiazole;tris(2,2,2-trifluoroacetic acid)?
The InChIKey is IAVDLBYKSJLMQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N5S.3C2HF3O2/c1-13-11-18-15-16(19(2)8-9-21(13)15)3-6-20(7-4-16)12-14-17-5-10-22-14;3*3-2(4,5)1(6)7/h5,10-11H,3-4,6-9,12H2,1-2H3;3*(H,6,7).
What are the key properties of 2-[(3,7-dimethylspiro[5,6-dihydroimidazo[1,2-a]pyrazine-8,4'-piperidine]-1'-yl)methyl]-1,3-thiazole;tris(2,2,2-trifluoroacetic acid)?
2-[(3,7-dimethylspiro[5,6-dihydroimidazo[1,2-a]pyrazine-8,4'-piperidine]-1'-yl)methyl]-1,3-thiazole;tris(2,2,2-trifluoroacetic acid) has a molecular weight of 659.53 g/mol, XLogP of 3.98, 2 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,7-dimethylspiro[5,6-dihydroimidazo[1,2-a]pyrazine-8,4'-piperidine]-1'-yl)methyl]-1,3-thiazole;tris(2,2,2-trifluoroacetic acid) is sourced from PubChem (CID 155829346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).