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

C18H20F3N7O3S — CID 155823891

IUPAC1-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
SMILESCn1cc(C(=O)NCc2cn3c(n2)CN(Cc2nccs2)CC3)cn1.O=C(O)C(F)(F)F
InChIInChI=1S/C16H19N7OS.C2HF3O2/c1-21-8-12(6-19-21)16(24)18-7-13-9-23-4-3-22(10-14(23)20-13)11-15-17-2-5-25-15;3-2(4,5)1(6)7/h2,5-6,8-9H,3-4,7,10-11H2,1H3,(H,18,24);(H,6,7)
InChIKeyIAPDNMBUEHQPDW-UHFFFAOYSA-N
MW471.47 g/mol
LogP1.65
Rot. Bonds5

About 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

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 (PubChem CID 155823891) has the molecular formula C18H20F3N7O3S and a molecular weight of 471.47 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name1-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
PubChem CID155823891
Molecular FormulaC18H20F3N7O3S
Molecular Weight471.47 g/mol
Exact Mass471.13
IUPAC Name1-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
SMILESCn1cc(C(=O)NCc2cn3c(n2)CN(Cc2nccs2)CC3)cn1.O=C(O)C(F)(F)F
InChIInChI=1S/C16H19N7OS.C2HF3O2/c1-21-8-12(6-19-21)16(24)18-7-13-9-23-4-3-22(10-14(23)20-13)11-15-17-2-5-25-15;3-2(4,5)1(6)7/h2,5-6,8-9H,3-4,7,10-11H2,1H3,(H,18,24);(H,6,7)
InChIKeyIAPDNMBUEHQPDW-UHFFFAOYSA-N
XLogP1.65
TPSA118.17 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.47
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 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 with MolForge

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Related Compounds

6-[(Diethylamino)methyl]-N-[(4-methyl-1,3-thiazol-2-YL)methyl]pyrazolo[1,5-A]pyrimidine-3-carboxamide
CID 56750840
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-(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
1-methyl-N-[[7-[(1-methylpyrazol-4-yl)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]methyl]pyrazole-4-carboxamide;2,2,2-trifluoroacetic acid
CID 155845367
1-methyl-N-[[7-(thiophen-3-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]methyl]pyrazole-4-carboxamide;2,2,2-trifluoroacetic acid
CID 155846199
2-[[2-(pyrazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methyl]-1,3-thiazole;bis(2,2,2-trifluoroacetic acid)
CID 155860923
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
2-[[8-methyl-3-(pyrazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methyl]-1,3-thiazole;bis(2,2,2-trifluoroacetic acid)
CID 155862180
6-(2-aminoethyl)-N-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propan-2-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;2,2,2-trifluoroacetic acid
CID 166261282
2-[[3-(pyrazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methyl]-1,3-thiazole;bis(2,2,2-trifluoroacetic acid)
CID 171685925
2-[[8-methyl-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 171689657
6-[(Diethylamino)methyl]-N-(1,3-thiazol-2-ylmethyl)pyrazolo[1,5-A]pyrimidine-3-carboxamide
CID 56708366

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cn1cc(C(=O)NCc2cn3c(n2)CN(Cc2nccs2)CC3)cn1.O=C(O)C(F)(F)F.
What is the InChIKey of 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?
The InChIKey is IAPDNMBUEHQPDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N7OS.C2HF3O2/c1-21-8-12(6-19-21)16(24)18-7-13-9-23-4-3-22(10-14(23)20-13)11-15-17-2-5-25-15;3-2(4,5)1(6)7/h2,5-6,8-9H,3-4,7,10-11H2,1H3,(H,18,24);(H,6,7).
What are the key properties of 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?
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 has a molecular weight of 471.47 g/mol, XLogP of 1.65, 5 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 155823891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).