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

C18H22F3N7O2 — CID 155824999

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

8-methyl-7-[(1-methylpyrazol-4-yl)methyl]-3-(pyrazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine;2,2,2-trifluoroacetic acid (PubChem CID 155824999) has the molecular formula C18H22F3N7O2 and a molecular weight of 425.42 g/mol. Its IUPAC name is 8-methyl-7-[(1-methylpyrazol-4-yl)methyl]-3-(pyrazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine;2,2,2-trifluoroacetic acid.

Molecular Properties

• Compound Name: 8-methyl-7-[(1-methylpyrazol-4-yl)methyl]-3-(pyrazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine;2,2,2-trifluoroacetic acid
• PubChem CID: 155824999
• Molecular Formula: C18H22F3N7O2
• Molecular Weight: 425.42 g/mol
• Exact Mass: 425.18
• IUPAC Name: 8-methyl-7-[(1-methylpyrazol-4-yl)methyl]-3-(pyrazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine;2,2,2-trifluoroacetic acid
• SMILES: CC1c2ncc(Cn3cccn3)n2CCN1Cc1cnn(C)c1.O=C(O)C(F)(F)F
• InChI: InChI=1S/C16H21N7.C2HF3O2/c1-13-16-17-9-15(12-22-5-3-4-18-22)23(16)7-6-21(13)11-14-8-19-20(2)10-14;3-2(4,5)1(6)7/h3-5,8-10,13H,6-7,11-12H2,1-2H3;(H,6,7)
• InChIKey: ZNQBYVMRSXLNQG-UHFFFAOYSA-N
• XLogP: 2.07
• TPSA: 94.00 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 4
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	425.42
LogP ≤ 5	2.07
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

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

The IUPAC name of 8-methyl-7-[(1-methylpyrazol-4-yl)methyl]-3-(pyrazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine;2,2,2-trifluoroacetic acid (CID 155824999) is 8-methyl-7-[(1-methylpyrazol-4-yl)methyl]-3-(pyrazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine;2,2,2-trifluoroacetic acid.

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

The canonical SMILES for 8-methyl-7-[(1-methylpyrazol-4-yl)methyl]-3-(pyrazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine;2,2,2-trifluoroacetic acid is CC1c2ncc(Cn3cccn3)n2CCN1Cc1cnn(C)c1.O=C(O)C(F)(F)F.

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

The InChIKey is ZNQBYVMRSXLNQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N7.C2HF3O2/c1-13-16-17-9-15(12-22-5-3-4-18-22)23(16)7-6-21(13)11-14-8-19-20(2)10-14;3-2(4,5)1(6)7/h3-5,8-10,13H,6-7,11-12H2,1-2H3;(H,6,7).

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

8-methyl-7-[(1-methylpyrazol-4-yl)methyl]-3-(pyrazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine;2,2,2-trifluoroacetic acid has a molecular weight of 425.42 g/mol, XLogP of 2.07, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 8-methyl-7-[(1-methylpyrazol-4-yl)methyl]-3-(pyrazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 155824999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).