1-methyl-N-[[7-(oxolan-3-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]methyl]pyrazole-4-carboxamide;bis(2,2,2-trifluoroacetic acid)

C21H26F6N6O6 — CID 118746214

About 1-methyl-N-[[7-(oxolan-3-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]methyl]pyrazole-4-carboxamide;bis(2,2,2-trifluoroacetic acid)

1-methyl-N-[[7-(oxolan-3-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]methyl]pyrazole-4-carboxamide;bis(2,2,2-trifluoroacetic acid) (PubChem CID 118746214) has the molecular formula C21H26F6N6O6 and a molecular weight of 572.46 g/mol. Its IUPAC name is 1-methyl-N-[[7-(oxolan-3-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]methyl]pyrazole-4-carboxamide;bis(2,2,2-trifluoroacetic acid).

Molecular Properties

• Compound Name: 1-methyl-N-[[7-(oxolan-3-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]methyl]pyrazole-4-carboxamide;bis(2,2,2-trifluoroacetic acid)
• PubChem CID: 118746214
• Molecular Formula: C21H26F6N6O6
• Molecular Weight: 572.46 g/mol
• Exact Mass: 572.18
• IUPAC Name: 1-methyl-N-[[7-(oxolan-3-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]methyl]pyrazole-4-carboxamide;bis(2,2,2-trifluoroacetic acid)
• SMILES: Cn1cc(C(=O)NCc2cn3c(n2)CN(CC2CCOC2)CC3)cn1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F
• InChI: InChI=1S/C17H24N6O2.2C2HF3O2/c1-21-9-14(6-19-21)17(24)18-7-15-10-23-4-3-22(11-16(23)20-15)8-13-2-5-25-12-13;2*3-2(4,5)1(6)7/h6,9-10,13H,2-5,7-8,11-12H2,1H3,(H,18,24);2*(H,6,7)
• InChIKey: IUPKJNQXMUXMOQ-UHFFFAOYSA-N
• XLogP: 1.67
• TPSA: 151.81 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 9
• Rotatable Bonds: 5
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	572.46
LogP ≤ 5	1.67
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[[7-(oxolan-3-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]methyl]pyrazole-4-carboxamide;bis(2,2,2-trifluoroacetic acid)?

The IUPAC name of 1-methyl-N-[[7-(oxolan-3-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]methyl]pyrazole-4-carboxamide;bis(2,2,2-trifluoroacetic acid) (CID 118746214) is 1-methyl-N-[[7-(oxolan-3-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]methyl]pyrazole-4-carboxamide;bis(2,2,2-trifluoroacetic acid).

What is the SMILES notation for 1-methyl-N-[[7-(oxolan-3-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]methyl]pyrazole-4-carboxamide;bis(2,2,2-trifluoroacetic acid)?

The canonical SMILES for 1-methyl-N-[[7-(oxolan-3-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]methyl]pyrazole-4-carboxamide;bis(2,2,2-trifluoroacetic acid) is Cn1cc(C(=O)NCc2cn3c(n2)CN(CC2CCOC2)CC3)cn1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.

What is the InChIKey of 1-methyl-N-[[7-(oxolan-3-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]methyl]pyrazole-4-carboxamide;bis(2,2,2-trifluoroacetic acid)?

The InChIKey is IUPKJNQXMUXMOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N6O2.2C2HF3O2/c1-21-9-14(6-19-21)17(24)18-7-15-10-23-4-3-22(11-16(23)20-15)8-13-2-5-25-12-13;2*3-2(4,5)1(6)7/h6,9-10,13H,2-5,7-8,11-12H2,1H3,(H,18,24);2*(H,6,7).

What are the key properties of 1-methyl-N-[[7-(oxolan-3-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]methyl]pyrazole-4-carboxamide;bis(2,2,2-trifluoroacetic acid)?

1-methyl-N-[[7-(oxolan-3-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]methyl]pyrazole-4-carboxamide;bis(2,2,2-trifluoroacetic acid) has a molecular weight of 572.46 g/mol, XLogP of 1.67, 5 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 1-methyl-N-[[7-(oxolan-3-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]methyl]pyrazole-4-carboxamide;bis(2,2,2-trifluoroacetic acid) is sourced from PubChem (CID 118746214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).