6-(3-fluorophenyl)-3-[1-methyl-4-[(1-methylpyrazol-4-yl)methyl]piperazin-2-yl]triazolo[1,5-a]pyridine;2,2,2-trifluoroacetic acid

C24H25F4N7O2 — CID 171697135

About 6-(3-fluorophenyl)-3-[1-methyl-4-[(1-methylpyrazol-4-yl)methyl]piperazin-2-yl]triazolo[1,5-a]pyridine;2,2,2-trifluoroacetic acid

6-(3-fluorophenyl)-3-[1-methyl-4-[(1-methylpyrazol-4-yl)methyl]piperazin-2-yl]triazolo[1,5-a]pyridine;2,2,2-trifluoroacetic acid (PubChem CID 171697135) has the molecular formula C24H25F4N7O2 and a molecular weight of 519.50 g/mol. Its IUPAC name is 6-(3-fluorophenyl)-3-[1-methyl-4-[(1-methylpyrazol-4-yl)methyl]piperazin-2-yl]triazolo[1,5-a]pyridine;2,2,2-trifluoroacetic acid.

Molecular Properties

• Compound Name: 6-(3-fluorophenyl)-3-[1-methyl-4-[(1-methylpyrazol-4-yl)methyl]piperazin-2-yl]triazolo[1,5-a]pyridine;2,2,2-trifluoroacetic acid
• PubChem CID: 171697135
• Molecular Formula: C24H25F4N7O2
• Molecular Weight: 519.50 g/mol
• Exact Mass: 519.20
• IUPAC Name: 6-(3-fluorophenyl)-3-[1-methyl-4-[(1-methylpyrazol-4-yl)methyl]piperazin-2-yl]triazolo[1,5-a]pyridine;2,2,2-trifluoroacetic acid
• SMILES: CN1CCN(Cc2cnn(C)c2)CC1c1nnn2cc(-c3cccc(F)c3)ccc12.O=C(O)C(F)(F)F
• InChI: InChI=1S/C22H24FN7.C2HF3O2/c1-27-8-9-29(13-16-11-24-28(2)12-16)15-21(27)22-20-7-6-18(14-30(20)26-25-22)17-4-3-5-19(23)10-17;3-2(4,5)1(6)7/h3-7,10-12,14,21H,8-9,13,15H2,1-2H3;(H,6,7)
• InChIKey: XCMJKOIASFWNPO-UHFFFAOYSA-N
• XLogP: 3.39
• TPSA: 91.79 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 4
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	519.50
LogP ≤ 5	3.39
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 6-(3-fluorophenyl)-3-[1-methyl-4-[(1-methylpyrazol-4-yl)methyl]piperazin-2-yl]triazolo[1,5-a]pyridine;2,2,2-trifluoroacetic acid?

The IUPAC name of 6-(3-fluorophenyl)-3-[1-methyl-4-[(1-methylpyrazol-4-yl)methyl]piperazin-2-yl]triazolo[1,5-a]pyridine;2,2,2-trifluoroacetic acid (CID 171697135) is 6-(3-fluorophenyl)-3-[1-methyl-4-[(1-methylpyrazol-4-yl)methyl]piperazin-2-yl]triazolo[1,5-a]pyridine;2,2,2-trifluoroacetic acid.

What is the SMILES notation for 6-(3-fluorophenyl)-3-[1-methyl-4-[(1-methylpyrazol-4-yl)methyl]piperazin-2-yl]triazolo[1,5-a]pyridine;2,2,2-trifluoroacetic acid?

The canonical SMILES for 6-(3-fluorophenyl)-3-[1-methyl-4-[(1-methylpyrazol-4-yl)methyl]piperazin-2-yl]triazolo[1,5-a]pyridine;2,2,2-trifluoroacetic acid is CN1CCN(Cc2cnn(C)c2)CC1c1nnn2cc(-c3cccc(F)c3)ccc12.O=C(O)C(F)(F)F.

What is the InChIKey of 6-(3-fluorophenyl)-3-[1-methyl-4-[(1-methylpyrazol-4-yl)methyl]piperazin-2-yl]triazolo[1,5-a]pyridine;2,2,2-trifluoroacetic acid?

The InChIKey is XCMJKOIASFWNPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24FN7.C2HF3O2/c1-27-8-9-29(13-16-11-24-28(2)12-16)15-21(27)22-20-7-6-18(14-30(20)26-25-22)17-4-3-5-19(23)10-17;3-2(4,5)1(6)7/h3-7,10-12,14,21H,8-9,13,15H2,1-2H3;(H,6,7).

What are the key properties of 6-(3-fluorophenyl)-3-[1-methyl-4-[(1-methylpyrazol-4-yl)methyl]piperazin-2-yl]triazolo[1,5-a]pyridine;2,2,2-trifluoroacetic acid?

6-(3-fluorophenyl)-3-[1-methyl-4-[(1-methylpyrazol-4-yl)methyl]piperazin-2-yl]triazolo[1,5-a]pyridine;2,2,2-trifluoroacetic acid has a molecular weight of 519.50 g/mol, XLogP of 3.39, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 6-(3-fluorophenyl)-3-[1-methyl-4-[(1-methylpyrazol-4-yl)methyl]piperazin-2-yl]triazolo[1,5-a]pyridine;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 171697135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).