oxolan-2-yl-[2-(pyrrolidin-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methanone;2,2,2-trifluoroacetic acid

C18H25F3N4O4 — CID 155830860

About oxolan-2-yl-[2-(pyrrolidin-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methanone;2,2,2-trifluoroacetic acid

oxolan-2-yl-[2-(pyrrolidin-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methanone;2,2,2-trifluoroacetic acid (PubChem CID 155830860) has the molecular formula C18H25F3N4O4 and a molecular weight of 418.42 g/mol. Its IUPAC name is oxolan-2-yl-[2-(pyrrolidin-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methanone;2,2,2-trifluoroacetic acid.

Molecular Properties

• Compound Name: oxolan-2-yl-[2-(pyrrolidin-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methanone;2,2,2-trifluoroacetic acid
• PubChem CID: 155830860
• Molecular Formula: C18H25F3N4O4
• Molecular Weight: 418.42 g/mol
• Exact Mass: 418.18
• IUPAC Name: oxolan-2-yl-[2-(pyrrolidin-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methanone;2,2,2-trifluoroacetic acid
• SMILES: O=C(C1CCCO1)N1CCn2cc(CN3CCCC3)nc2C1.O=C(O)C(F)(F)F
• InChI: InChI=1S/C16H24N4O2.C2HF3O2/c21-16(14-4-3-9-22-14)20-8-7-19-11-13(17-15(19)12-20)10-18-5-1-2-6-18;3-2(4,5)1(6)7/h11,14H,1-10,12H2;(H,6,7)
• InChIKey: DFBQCAHTDYHVNO-UHFFFAOYSA-N
• XLogP: 1.63
• TPSA: 87.90 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 3
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	418.42
LogP ≤ 5	1.63
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of oxolan-2-yl-[2-(pyrrolidin-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methanone;2,2,2-trifluoroacetic acid?

The IUPAC name of oxolan-2-yl-[2-(pyrrolidin-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methanone;2,2,2-trifluoroacetic acid (CID 155830860) is oxolan-2-yl-[2-(pyrrolidin-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methanone;2,2,2-trifluoroacetic acid.

What is the SMILES notation for oxolan-2-yl-[2-(pyrrolidin-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methanone;2,2,2-trifluoroacetic acid?

The canonical SMILES for oxolan-2-yl-[2-(pyrrolidin-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methanone;2,2,2-trifluoroacetic acid is O=C(C1CCCO1)N1CCn2cc(CN3CCCC3)nc2C1.O=C(O)C(F)(F)F.

What is the InChIKey of oxolan-2-yl-[2-(pyrrolidin-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methanone;2,2,2-trifluoroacetic acid?

The InChIKey is DFBQCAHTDYHVNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O2.C2HF3O2/c21-16(14-4-3-9-22-14)20-8-7-19-11-13(17-15(19)12-20)10-18-5-1-2-6-18;3-2(4,5)1(6)7/h11,14H,1-10,12H2;(H,6,7).

What are the key properties of oxolan-2-yl-[2-(pyrrolidin-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methanone;2,2,2-trifluoroacetic acid?

oxolan-2-yl-[2-(pyrrolidin-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methanone;2,2,2-trifluoroacetic acid has a molecular weight of 418.42 g/mol, XLogP of 1.63, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for oxolan-2-yl-[2-(pyrrolidin-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methanone;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 155830860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).