N-[[7-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]methyl]-N-ethylethanamine;bis(2,2,2-trifluoroacetic acid)

C21H29F6N5O5 — CID 118746546

About N-[[7-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]methyl]-N-ethylethanamine;bis(2,2,2-trifluoroacetic acid)

N-[[7-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]methyl]-N-ethylethanamine;bis(2,2,2-trifluoroacetic acid) (PubChem CID 118746546) has the molecular formula C21H29F6N5O5 and a molecular weight of 545.48 g/mol. Its IUPAC name is N-[[7-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]methyl]-N-ethylethanamine;bis(2,2,2-trifluoroacetic acid).

Molecular Properties

• Compound Name: N-[[7-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]methyl]-N-ethylethanamine;bis(2,2,2-trifluoroacetic acid)
• PubChem CID: 118746546
• Molecular Formula: C21H29F6N5O5
• Molecular Weight: 545.48 g/mol
• Exact Mass: 545.21
• IUPAC Name: N-[[7-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]methyl]-N-ethylethanamine;bis(2,2,2-trifluoroacetic acid)
• SMILES: CCN(CC)Cc1cn2c(n1)CN(Cc1c(C)noc1C)CC2.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F
• InChI: InChI=1S/C17H27N5O.2C2HF3O2/c1-5-20(6-2)9-15-10-22-8-7-21(12-17(22)18-15)11-16-13(3)19-23-14(16)4;2*3-2(4,5)1(6)7/h10H,5-9,11-12H2,1-4H3;2*(H,6,7)
• InChIKey: YSSJAOSBQRSECQ-UHFFFAOYSA-N
• XLogP: 3.61
• TPSA: 124.93 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	545.48
LogP ≤ 5	3.61
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

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

The IUPAC name of N-[[7-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]methyl]-N-ethylethanamine;bis(2,2,2-trifluoroacetic acid) (CID 118746546) is N-[[7-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]methyl]-N-ethylethanamine;bis(2,2,2-trifluoroacetic acid).

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

The canonical SMILES for N-[[7-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]methyl]-N-ethylethanamine;bis(2,2,2-trifluoroacetic acid) is CCN(CC)Cc1cn2c(n1)CN(Cc1c(C)noc1C)CC2.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.

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

The InChIKey is YSSJAOSBQRSECQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N5O.2C2HF3O2/c1-5-20(6-2)9-15-10-22-8-7-21(12-17(22)18-15)11-16-13(3)19-23-14(16)4;2*3-2(4,5)1(6)7/h10H,5-9,11-12H2,1-4H3;2*(H,6,7).

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

N-[[7-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]methyl]-N-ethylethanamine;bis(2,2,2-trifluoroacetic acid) has a molecular weight of 545.48 g/mol, XLogP of 3.61, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[7-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]methyl]-N-ethylethanamine;bis(2,2,2-trifluoroacetic acid) is sourced from PubChem (CID 118746546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).