morpholin-4-yl-[7-(thiophen-3-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-3-yl]methanone;2,2,2-trifluoroacetic acid

C18H21F3N4O4S — CID 155848258

About morpholin-4-yl-[7-(thiophen-3-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-3-yl]methanone;2,2,2-trifluoroacetic acid

morpholin-4-yl-[7-(thiophen-3-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-3-yl]methanone;2,2,2-trifluoroacetic acid (PubChem CID 155848258) has the molecular formula C18H21F3N4O4S and a molecular weight of 446.45 g/mol. Its IUPAC name is morpholin-4-yl-[7-(thiophen-3-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-3-yl]methanone;2,2,2-trifluoroacetic acid.

Molecular Properties

• Compound Name: morpholin-4-yl-[7-(thiophen-3-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-3-yl]methanone;2,2,2-trifluoroacetic acid
• PubChem CID: 155848258
• Molecular Formula: C18H21F3N4O4S
• Molecular Weight: 446.45 g/mol
• Exact Mass: 446.12
• IUPAC Name: morpholin-4-yl-[7-(thiophen-3-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-3-yl]methanone;2,2,2-trifluoroacetic acid
• SMILES: O=C(O)C(F)(F)F.O=C(c1cnc2n1CCN(Cc1ccsc1)C2)N1CCOCC1
• InChI: InChI=1S/C16H20N4O2S.C2HF3O2/c21-16(19-4-6-22-7-5-19)14-9-17-15-11-18(2-3-20(14)15)10-13-1-8-23-12-13;3-2(4,5)1(6)7/h1,8-9,12H,2-7,10-11H2;(H,6,7)
• InChIKey: FXIADNKRNVDBKJ-UHFFFAOYSA-N
• XLogP: 2.07
• TPSA: 87.90 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 3
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	446.45
LogP ≤ 5	2.07
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of morpholin-4-yl-[7-(thiophen-3-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-3-yl]methanone;2,2,2-trifluoroacetic acid?

The IUPAC name of morpholin-4-yl-[7-(thiophen-3-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-3-yl]methanone;2,2,2-trifluoroacetic acid (CID 155848258) is morpholin-4-yl-[7-(thiophen-3-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-3-yl]methanone;2,2,2-trifluoroacetic acid.

What is the SMILES notation for morpholin-4-yl-[7-(thiophen-3-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-3-yl]methanone;2,2,2-trifluoroacetic acid?

The canonical SMILES for morpholin-4-yl-[7-(thiophen-3-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-3-yl]methanone;2,2,2-trifluoroacetic acid is O=C(O)C(F)(F)F.O=C(c1cnc2n1CCN(Cc1ccsc1)C2)N1CCOCC1.

What is the InChIKey of morpholin-4-yl-[7-(thiophen-3-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-3-yl]methanone;2,2,2-trifluoroacetic acid?

The InChIKey is FXIADNKRNVDBKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O2S.C2HF3O2/c21-16(19-4-6-22-7-5-19)14-9-17-15-11-18(2-3-20(14)15)10-13-1-8-23-12-13;3-2(4,5)1(6)7/h1,8-9,12H,2-7,10-11H2;(H,6,7).

What are the key properties of morpholin-4-yl-[7-(thiophen-3-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-3-yl]methanone;2,2,2-trifluoroacetic acid?

morpholin-4-yl-[7-(thiophen-3-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-3-yl]methanone;2,2,2-trifluoroacetic acid has a molecular weight of 446.45 g/mol, XLogP of 2.07, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for morpholin-4-yl-[7-(thiophen-3-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-3-yl]methanone;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 155848258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).