7-[(1-methylpyrazol-4-yl)methyl]-3-thiophen-2-yl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine;2,2,2-trifluoroacetic acid

C17H18F3N5O2S — CID 155864244

IUPAC7-[(1-methylpyrazol-4-yl)methyl]-3-thiophen-2-yl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine;2,2,2-trifluoroacetic acid
SMILESCn1cc(CN2CCn3c(-c4cccs4)cnc3C2)cn1.O=C(O)C(F)(F)F
InChIInChI=1S/C15H17N5S.C2HF3O2/c1-18-9-12(7-17-18)10-19-4-5-20-13(8-16-15(20)11-19)14-3-2-6-21-14;3-2(4,5)1(6)7/h2-3,6-9H,4-5,10-11H2,1H3;(H,6,7)
InChIKeyGXZGWPMAVCZXGB-UHFFFAOYSA-N
MW413.43 g/mol
LogP2.99
Rot. Bonds3

About 7-[(1-methylpyrazol-4-yl)methyl]-3-thiophen-2-yl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine;2,2,2-trifluoroacetic acid

7-[(1-methylpyrazol-4-yl)methyl]-3-thiophen-2-yl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine;2,2,2-trifluoroacetic acid (PubChem CID 155864244) has the molecular formula C17H18F3N5O2S and a molecular weight of 413.43 g/mol. Its IUPAC name is 7-[(1-methylpyrazol-4-yl)methyl]-3-thiophen-2-yl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name7-[(1-methylpyrazol-4-yl)methyl]-3-thiophen-2-yl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine;2,2,2-trifluoroacetic acid
PubChem CID155864244
Molecular FormulaC17H18F3N5O2S
Molecular Weight413.43 g/mol
Exact Mass413.11
IUPAC Name7-[(1-methylpyrazol-4-yl)methyl]-3-thiophen-2-yl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine;2,2,2-trifluoroacetic acid
SMILESCn1cc(CN2CCn3c(-c4cccs4)cnc3C2)cn1.O=C(O)C(F)(F)F
InChIInChI=1S/C15H17N5S.C2HF3O2/c1-18-9-12(7-17-18)10-19-4-5-20-13(8-16-15(20)11-19)14-3-2-6-21-14;3-2(4,5)1(6)7/h2-3,6-9H,4-5,10-11H2,1H3;(H,6,7)
InChIKeyGXZGWPMAVCZXGB-UHFFFAOYSA-N
XLogP2.99
TPSA76.18 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.43
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

US9096589, 5,8-Dimethyl-2-[2-(1-methyl-4-thiophen-2-yl-1H-imidazol-2-yl)-ethyl]-[1,2,4]triazolo[1,5-a]pyridine
CID 53250350
US9096589, 5,8-Dimethyl-2-[2-(1-methyl-4-thiophen-2-yl-1H-imidazol-2-yl)-ethyl]-[1,2,4]triazolo[1,5-a]pyrazine
CID 53250503
8-Propyl-7-[(2-thiophen-2-ylimidazol-1-yl)methyl]-[1,2,4]triazolo[1,5-c]pyrimidine
CID 11771684
US9096589, 8-Methyl-2-[2-(1-methyl-4-thiophen-2-yl-1H-imidazol-2-yl)-ethyl]-[1,2,4]triazolo[1,5-a]pyridine
CID 53250194
US9096589, 5,7-Dimethyl-2-[2-(1-methyl-4-thiophen-2-yl-1H-imidazol-2-yl)-ethyl]-[1,2,4]triazolo[1,5-a]pyrimidine
CID 53252086
US9096589, 8-Fluoro-2-[(E)-2-(1-methyl-4-thiophen-2-yl-1H-imidazol-2-yl)-vinyl]-[1,2,4]triazolo[1,5-a]pyridine
CID 53252250
US9096589, 8-Fluoro-2-[2-(1-methyl-4-thiophen-2-yl-1H-imidazol-2-yl)-ethyl]-[1,2,4]triazolo[1,5-a]pyridine
CID 53252253
US9096589, (S)-1-[(2-Hydroxy-ethyl)-methyl-amino]-3-{2-[2-(5-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-ethyl]-4-thiophen-2-yl-imidazol-1-yl}-propan-2-ol
CID 67258648
6-(1-Methylpyrazol-4-yl)-3-(2-thienyl)imidazo [1,2-b]pyridazine
CID 90480124
1-(5-{1-[(1,5-dimethyl-1H-pyrazol-4-yl)methyl]-1H-imidazol-2-yl}-3-thienyl)-N,N-dimethylmethanamine
CID 56760491
1-methyl-N-[[7-[(5-methylthiophen-2-yl)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]methyl]pyrazole-4-carboxamide
CID 97382162
1-[2-(pyrazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-2-thiophen-2-ylethanone
CID 97467491

Frequently Asked Questions

What is the IUPAC name of 7-[(1-methylpyrazol-4-yl)methyl]-3-thiophen-2-yl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine;2,2,2-trifluoroacetic acid?
The IUPAC name of 7-[(1-methylpyrazol-4-yl)methyl]-3-thiophen-2-yl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine;2,2,2-trifluoroacetic acid (CID 155864244) is 7-[(1-methylpyrazol-4-yl)methyl]-3-thiophen-2-yl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 7-[(1-methylpyrazol-4-yl)methyl]-3-thiophen-2-yl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine;2,2,2-trifluoroacetic acid?
The canonical SMILES for 7-[(1-methylpyrazol-4-yl)methyl]-3-thiophen-2-yl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine;2,2,2-trifluoroacetic acid is Cn1cc(CN2CCn3c(-c4cccs4)cnc3C2)cn1.O=C(O)C(F)(F)F.
What is the InChIKey of 7-[(1-methylpyrazol-4-yl)methyl]-3-thiophen-2-yl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine;2,2,2-trifluoroacetic acid?
The InChIKey is GXZGWPMAVCZXGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N5S.C2HF3O2/c1-18-9-12(7-17-18)10-19-4-5-20-13(8-16-15(20)11-19)14-3-2-6-21-14;3-2(4,5)1(6)7/h2-3,6-9H,4-5,10-11H2,1H3;(H,6,7).
What are the key properties of 7-[(1-methylpyrazol-4-yl)methyl]-3-thiophen-2-yl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine;2,2,2-trifluoroacetic acid?
7-[(1-methylpyrazol-4-yl)methyl]-3-thiophen-2-yl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine;2,2,2-trifluoroacetic acid has a molecular weight of 413.43 g/mol, XLogP of 2.99, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(1-methylpyrazol-4-yl)methyl]-3-thiophen-2-yl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 155864244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).