2-methyl-4-[[3-(pyrazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methyl]-1,3-thiazole;2,2,2-trifluoroacetic acid

C17H19F3N6O2S — CID 155861360

IUPAC2-methyl-4-[[3-(pyrazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methyl]-1,3-thiazole;2,2,2-trifluoroacetic acid
SMILESCc1nc(CN2CCn3c(Cn4cccn4)cnc3C2)cs1.O=C(O)C(F)(F)F
InChIInChI=1S/C15H18N6S.C2HF3O2/c1-12-18-13(11-22-12)8-19-5-6-21-14(7-16-15(21)10-19)9-20-4-2-3-17-20;3-2(4,5)1(6)7/h2-4,7,11H,5-6,8-10H2,1H3;(H,6,7)
InChIKeyNRYAJQMPSZHYJO-UHFFFAOYSA-N
MW428.44 g/mol
LogP2.54
Rot. Bonds4

About 2-methyl-4-[[3-(pyrazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methyl]-1,3-thiazole;2,2,2-trifluoroacetic acid

2-methyl-4-[[3-(pyrazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methyl]-1,3-thiazole;2,2,2-trifluoroacetic acid (PubChem CID 155861360) has the molecular formula C17H19F3N6O2S and a molecular weight of 428.44 g/mol. Its IUPAC name is 2-methyl-4-[[3-(pyrazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methyl]-1,3-thiazole;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name2-methyl-4-[[3-(pyrazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methyl]-1,3-thiazole;2,2,2-trifluoroacetic acid
PubChem CID155861360
Molecular FormulaC17H19F3N6O2S
Molecular Weight428.44 g/mol
Exact Mass428.12
IUPAC Name2-methyl-4-[[3-(pyrazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methyl]-1,3-thiazole;2,2,2-trifluoroacetic acid
SMILESCc1nc(CN2CCn3c(Cn4cccn4)cnc3C2)cs1.O=C(O)C(F)(F)F
InChIInChI=1S/C15H18N6S.C2HF3O2/c1-12-18-13(11-22-12)8-19-5-6-21-14(7-16-15(21)10-19)9-20-4-2-3-17-20;3-2(4,5)1(6)7/h2-4,7,11H,5-6,8-10H2,1H3;(H,6,7)
InChIKeyNRYAJQMPSZHYJO-UHFFFAOYSA-N
XLogP2.54
TPSA89.07 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.44
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 2-methyl-4-[[3-(pyrazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methyl]-1,3-thiazole;2,2,2-trifluoroacetic acid with MolForge

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Related Compounds

2-[[2-(pyrazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methyl]-1,3-thiazole
CID 97467469
7-[(1-methylpyrazol-4-yl)methyl]-2-(pyrazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine;2,2,2-trifluoroacetic acid
CID 118743909
2-[[2-(pyrazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methyl]-1,3-thiazole;2,2,2-trifluoroacetic acid
CID 118744308
2-[[3-(1,2,4-triazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methyl]-1,3-thiazole;2,2,2-trifluoroacetic acid
CID 118745409
1-methyl-N-[[7-(1,3-thiazol-2-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]methyl]pyrazole-4-carboxamide;2,2,2-trifluoroacetic acid
CID 155823891
8-methyl-7-[(1-methylpyrazol-4-yl)methyl]-3-(pyrazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine;2,2,2-trifluoroacetic acid
CID 155824999
2-[[3-(pyrazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methyl]-1,3-thiazole;2,2,2-trifluoroacetic acid
CID 155825210
2-methyl-4-[[3-(1,2,4-triazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methyl]-1,3-thiazole;bis(2,2,2-trifluoroacetic acid)
CID 155828203
2-methyl-4-[[8-methyl-3-(1,2,4-triazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methyl]-1,3-thiazole;2,2,2-trifluoroacetic acid
CID 155828963
4-[[7-[(1-ethylpyrazol-4-yl)methyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-5-yl]methoxymethyl]-2-methyl-1,3-thiazole;2,2,2-trifluoroacetic acid
CID 155837743
2-(pyrazol-1-ylmethyl)-7-(thiophen-3-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine;2,2,2-trifluoroacetic acid
CID 155841253
2-Methyl-4-[[3-(pyrazol-1-ylmethyl)-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-7-yl]methyl]-1,3-thiazole;2,2,2-trifluoroacetic acid
CID 155842316

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-[[3-(pyrazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methyl]-1,3-thiazole;2,2,2-trifluoroacetic acid?
The IUPAC name of 2-methyl-4-[[3-(pyrazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methyl]-1,3-thiazole;2,2,2-trifluoroacetic acid (CID 155861360) is 2-methyl-4-[[3-(pyrazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methyl]-1,3-thiazole;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 2-methyl-4-[[3-(pyrazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methyl]-1,3-thiazole;2,2,2-trifluoroacetic acid?
The canonical SMILES for 2-methyl-4-[[3-(pyrazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methyl]-1,3-thiazole;2,2,2-trifluoroacetic acid is Cc1nc(CN2CCn3c(Cn4cccn4)cnc3C2)cs1.O=C(O)C(F)(F)F.
What is the InChIKey of 2-methyl-4-[[3-(pyrazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methyl]-1,3-thiazole;2,2,2-trifluoroacetic acid?
The InChIKey is NRYAJQMPSZHYJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N6S.C2HF3O2/c1-12-18-13(11-22-12)8-19-5-6-21-14(7-16-15(21)10-19)9-20-4-2-3-17-20;3-2(4,5)1(6)7/h2-4,7,11H,5-6,8-10H2,1H3;(H,6,7).
What are the key properties of 2-methyl-4-[[3-(pyrazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methyl]-1,3-thiazole;2,2,2-trifluoroacetic acid?
2-methyl-4-[[3-(pyrazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methyl]-1,3-thiazole;2,2,2-trifluoroacetic acid has a molecular weight of 428.44 g/mol, XLogP of 2.54, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-[[3-(pyrazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methyl]-1,3-thiazole;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 155861360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).