8-methyl-3-(pyridin-4-ylmethoxymethyl)-7-(thiophen-2-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine;bis(2,2,2-trifluoroacetic acid)

C₂₃H₂₄F₆N₄O₅S — CID 155831610

About 8-methyl-3-(pyridin-4-ylmethoxymethyl)-7-(thiophen-2-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine;bis(2,2,2-trifluoroacetic acid)

8-methyl-3-(pyridin-4-ylmethoxymethyl)-7-(thiophen-2-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine;bis(2,2,2-trifluoroacetic acid) (PubChem CID 155831610) has the molecular formula C₂₃H₂₄F₆N₄O₅S and a molecular weight of 582.52 g/mol. Its IUPAC name is 8-methyl-3-(pyridin-4-ylmethoxymethyl)-7-(thiophen-2-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine;bis(2,2,2-trifluoroacetic acid).

Molecular Properties

• Compound Name: 8-methyl-3-(pyridin-4-ylmethoxymethyl)-7-(thiophen-2-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine;bis(2,2,2-trifluoroacetic acid)
• PubChem CID: 155831610
• Molecular Formula: C₂₃H₂₄F₆N₄O₅S
• Molecular Weight: 582.52 g/mol
• Exact Mass: 582.14
• IUPAC Name: 8-methyl-3-(pyridin-4-ylmethoxymethyl)-7-(thiophen-2-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine;bis(2,2,2-trifluoroacetic acid)
• SMILES: CC1c2ncc(COCc3ccncc3)n2CCN1Cc1cccs1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F
• InChI: InChI=1S/C19H22N4OS.2C2HF3O2/c1-15-19-21-11-17(14-24-13-16-4-6-20-7-5-16)23(19)9-8-22(15)12-18-3-2-10-25-18;2*3-2(4,5)1(6)7/h2-7,10-11,15H,8-9,12-14H2,1H3;2*(H,6,7)
• InChIKey: OSPBCYBHTBDDAK-UHFFFAOYSA-N
• XLogP: 4.90
• TPSA: 117.78 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	582.52
LogP ≤ 5	4.90
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 8-methyl-3-(pyridin-4-ylmethoxymethyl)-7-(thiophen-2-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine;bis(2,2,2-trifluoroacetic acid)?

The IUPAC name of 8-methyl-3-(pyridin-4-ylmethoxymethyl)-7-(thiophen-2-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine;bis(2,2,2-trifluoroacetic acid) (CID 155831610) is 8-methyl-3-(pyridin-4-ylmethoxymethyl)-7-(thiophen-2-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine;bis(2,2,2-trifluoroacetic acid).

What is the SMILES notation for 8-methyl-3-(pyridin-4-ylmethoxymethyl)-7-(thiophen-2-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine;bis(2,2,2-trifluoroacetic acid)?

The canonical SMILES for 8-methyl-3-(pyridin-4-ylmethoxymethyl)-7-(thiophen-2-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine;bis(2,2,2-trifluoroacetic acid) is CC1c2ncc(COCc3ccncc3)n2CCN1Cc1cccs1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.

What is the InChIKey of 8-methyl-3-(pyridin-4-ylmethoxymethyl)-7-(thiophen-2-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine;bis(2,2,2-trifluoroacetic acid)?

The InChIKey is OSPBCYBHTBDDAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4OS.2C2HF3O2/c1-15-19-21-11-17(14-24-13-16-4-6-20-7-5-16)23(19)9-8-22(15)12-18-3-2-10-25-18;2*3-2(4,5)1(6)7/h2-7,10-11,15H,8-9,12-14H2,1H3;2*(H,6,7).

What are the key properties of 8-methyl-3-(pyridin-4-ylmethoxymethyl)-7-(thiophen-2-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine;bis(2,2,2-trifluoroacetic acid)?

8-methyl-3-(pyridin-4-ylmethoxymethyl)-7-(thiophen-2-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine;bis(2,2,2-trifluoroacetic acid) has a molecular weight of 582.52 g/mol, XLogP of 4.90, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 8-methyl-3-(pyridin-4-ylmethoxymethyl)-7-(thiophen-2-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine;bis(2,2,2-trifluoroacetic acid) is sourced from PubChem (CID 155831610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 155831610 — identifiers, structure, computed properties (public domain)

How this page is built: methodology · editorial policy & corrections.