N-methyl-N-[[7-(oxolan-3-yl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]methyl]-1-pyridin-3-ylmethanamine;tris(2,2,2-trifluoroacetic acid)

C24H28F9N5O7 — CID 118747078

About N-methyl-N-[[7-(oxolan-3-yl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]methyl]-1-pyridin-3-ylmethanamine;tris(2,2,2-trifluoroacetic acid)

N-methyl-N-[[7-(oxolan-3-yl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]methyl]-1-pyridin-3-ylmethanamine;tris(2,2,2-trifluoroacetic acid) (PubChem CID 118747078) has the molecular formula C24H28F9N5O7 and a molecular weight of 669.50 g/mol. Its IUPAC name is N-methyl-N-[[7-(oxolan-3-yl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]methyl]-1-pyridin-3-ylmethanamine;tris(2,2,2-trifluoroacetic acid).

Molecular Properties

• Compound Name: N-methyl-N-[[7-(oxolan-3-yl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]methyl]-1-pyridin-3-ylmethanamine;tris(2,2,2-trifluoroacetic acid)
• PubChem CID: 118747078
• Molecular Formula: C24H28F9N5O7
• Molecular Weight: 669.50 g/mol
• Exact Mass: 669.18
• IUPAC Name: N-methyl-N-[[7-(oxolan-3-yl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]methyl]-1-pyridin-3-ylmethanamine;tris(2,2,2-trifluoroacetic acid)
• SMILES: CN(Cc1cccnc1)Cc1cn2c(n1)CN(C1CCOC1)CC2.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F
• InChI: InChI=1S/C18H25N5O.3C2HF3O2/c1-21(10-15-3-2-5-19-9-15)11-16-12-23-7-6-22(13-18(23)20-16)17-4-8-24-14-17;3*3-2(4,5)1(6)7/h2-3,5,9,12,17H,4,6-8,10-11,13-14H2,1H3;3*(H,6,7)
• InChIKey: HJYBHNJXISOKAM-UHFFFAOYSA-N
• XLogP: 3.41
• TPSA: 158.32 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 9
• Rotatable Bonds: 5
• Heavy Atoms: 45
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	669.50
LogP ≤ 5	3.41
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

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

The IUPAC name of N-methyl-N-[[7-(oxolan-3-yl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]methyl]-1-pyridin-3-ylmethanamine;tris(2,2,2-trifluoroacetic acid) (CID 118747078) is N-methyl-N-[[7-(oxolan-3-yl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]methyl]-1-pyridin-3-ylmethanamine;tris(2,2,2-trifluoroacetic acid).

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

The canonical SMILES for N-methyl-N-[[7-(oxolan-3-yl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]methyl]-1-pyridin-3-ylmethanamine;tris(2,2,2-trifluoroacetic acid) is CN(Cc1cccnc1)Cc1cn2c(n1)CN(C1CCOC1)CC2.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.

What is the InChIKey of N-methyl-N-[[7-(oxolan-3-yl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]methyl]-1-pyridin-3-ylmethanamine;tris(2,2,2-trifluoroacetic acid)?

The InChIKey is HJYBHNJXISOKAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N5O.3C2HF3O2/c1-21(10-15-3-2-5-19-9-15)11-16-12-23-7-6-22(13-18(23)20-16)17-4-8-24-14-17;3*3-2(4,5)1(6)7/h2-3,5,9,12,17H,4,6-8,10-11,13-14H2,1H3;3*(H,6,7).

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

N-methyl-N-[[7-(oxolan-3-yl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]methyl]-1-pyridin-3-ylmethanamine;tris(2,2,2-trifluoroacetic acid) has a molecular weight of 669.50 g/mol, XLogP of 3.41, 5 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for N-methyl-N-[[7-(oxolan-3-yl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]methyl]-1-pyridin-3-ylmethanamine;tris(2,2,2-trifluoroacetic acid) is sourced from PubChem (CID 118747078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).