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

C23H26F6N6O5 — CID 155852580

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

8-methyl-7-[(1-methylpyrazol-4-yl)methyl]-3-(pyridin-4-ylmethoxymethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine;bis(2,2,2-trifluoroacetic acid) (PubChem CID 155852580) has the molecular formula C23H26F6N6O5 and a molecular weight of 580.49 g/mol. Its IUPAC name is 8-methyl-7-[(1-methylpyrazol-4-yl)methyl]-3-(pyridin-4-ylmethoxymethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine;bis(2,2,2-trifluoroacetic acid).

Molecular Properties

• Compound Name: 8-methyl-7-[(1-methylpyrazol-4-yl)methyl]-3-(pyridin-4-ylmethoxymethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine;bis(2,2,2-trifluoroacetic acid)
• PubChem CID: 155852580
• Molecular Formula: C23H26F6N6O5
• Molecular Weight: 580.49 g/mol
• Exact Mass: 580.19
• IUPAC Name: 8-methyl-7-[(1-methylpyrazol-4-yl)methyl]-3-(pyridin-4-ylmethoxymethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine;bis(2,2,2-trifluoroacetic acid)
• SMILES: CC1c2ncc(COCc3ccncc3)n2CCN1Cc1cnn(C)c1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F
• InChI: InChI=1S/C19H24N6O.2C2HF3O2/c1-15-19-21-10-18(14-26-13-16-3-5-20-6-4-16)25(19)8-7-24(15)12-17-9-22-23(2)11-17;2*3-2(4,5)1(6)7/h3-6,9-11,15H,7-8,12-14H2,1-2H3;2*(H,6,7)
• InChIKey: APYLVESAWIRHPL-UHFFFAOYSA-N
• XLogP: 3.57
• TPSA: 135.60 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 6
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	580.49
LogP ≤ 5	3.57
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

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

The IUPAC name of 8-methyl-7-[(1-methylpyrazol-4-yl)methyl]-3-(pyridin-4-ylmethoxymethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine;bis(2,2,2-trifluoroacetic acid) (CID 155852580) is 8-methyl-7-[(1-methylpyrazol-4-yl)methyl]-3-(pyridin-4-ylmethoxymethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine;bis(2,2,2-trifluoroacetic acid).

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

The canonical SMILES for 8-methyl-7-[(1-methylpyrazol-4-yl)methyl]-3-(pyridin-4-ylmethoxymethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine;bis(2,2,2-trifluoroacetic acid) is CC1c2ncc(COCc3ccncc3)n2CCN1Cc1cnn(C)c1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.

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

The InChIKey is APYLVESAWIRHPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N6O.2C2HF3O2/c1-15-19-21-10-18(14-26-13-16-3-5-20-6-4-16)25(19)8-7-24(15)12-17-9-22-23(2)11-17;2*3-2(4,5)1(6)7/h3-6,9-11,15H,7-8,12-14H2,1-2H3;2*(H,6,7).

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

8-methyl-7-[(1-methylpyrazol-4-yl)methyl]-3-(pyridin-4-ylmethoxymethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine;bis(2,2,2-trifluoroacetic acid) has a molecular weight of 580.49 g/mol, XLogP of 3.57, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 8-methyl-7-[(1-methylpyrazol-4-yl)methyl]-3-(pyridin-4-ylmethoxymethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine;bis(2,2,2-trifluoroacetic acid) is sourced from PubChem (CID 155852580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).