6-(6-methoxy-3-pyridinyl)-3-[1-methyl-4-(thiophen-2-ylmethyl)piperazin-2-yl]triazolo[1,5-a]pyridine;2,2,2-trifluoroacetic acid

C24H25F3N6O3S — CID 171693603

About 6-(6-methoxy-3-pyridinyl)-3-[1-methyl-4-(thiophen-2-ylmethyl)piperazin-2-yl]triazolo[1,5-a]pyridine;2,2,2-trifluoroacetic acid

6-(6-methoxy-3-pyridinyl)-3-[1-methyl-4-(thiophen-2-ylmethyl)piperazin-2-yl]triazolo[1,5-a]pyridine;2,2,2-trifluoroacetic acid (PubChem CID 171693603) has the molecular formula C24H25F3N6O3S and a molecular weight of 534.56 g/mol. Its IUPAC name is 6-(6-methoxy-3-pyridinyl)-3-[1-methyl-4-(thiophen-2-ylmethyl)piperazin-2-yl]triazolo[1,5-a]pyridine;2,2,2-trifluoroacetic acid.

Molecular Properties

• Compound Name: 6-(6-methoxy-3-pyridinyl)-3-[1-methyl-4-(thiophen-2-ylmethyl)piperazin-2-yl]triazolo[1,5-a]pyridine;2,2,2-trifluoroacetic acid
• PubChem CID: 171693603
• Molecular Formula: C24H25F3N6O3S
• Molecular Weight: 534.56 g/mol
• Exact Mass: 534.17
• IUPAC Name: 6-(6-methoxy-3-pyridinyl)-3-[1-methyl-4-(thiophen-2-ylmethyl)piperazin-2-yl]triazolo[1,5-a]pyridine;2,2,2-trifluoroacetic acid
• SMILES: COc1ccc(-c2ccc3c(C4CN(Cc5cccs5)CCN4C)nnn3c2)cn1.O=C(O)C(F)(F)F
• InChI: InChI=1S/C22H24N6OS.C2HF3O2/c1-26-9-10-27(14-18-4-3-11-30-18)15-20(26)22-19-7-5-17(13-28(19)25-24-22)16-6-8-21(29-2)23-12-16;3-2(4,5)1(6)7/h3-8,11-13,20H,9-10,14-15H2,1-2H3;(H,6,7)
• InChIKey: IYISFKZAXHRWCL-UHFFFAOYSA-N
• XLogP: 3.98
• TPSA: 96.09 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 5
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	534.56
LogP ≤ 5	3.98
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

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

The IUPAC name of 6-(6-methoxy-3-pyridinyl)-3-[1-methyl-4-(thiophen-2-ylmethyl)piperazin-2-yl]triazolo[1,5-a]pyridine;2,2,2-trifluoroacetic acid (CID 171693603) is 6-(6-methoxy-3-pyridinyl)-3-[1-methyl-4-(thiophen-2-ylmethyl)piperazin-2-yl]triazolo[1,5-a]pyridine;2,2,2-trifluoroacetic acid.

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

The canonical SMILES for 6-(6-methoxy-3-pyridinyl)-3-[1-methyl-4-(thiophen-2-ylmethyl)piperazin-2-yl]triazolo[1,5-a]pyridine;2,2,2-trifluoroacetic acid is COc1ccc(-c2ccc3c(C4CN(Cc5cccs5)CCN4C)nnn3c2)cn1.O=C(O)C(F)(F)F.

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

The InChIKey is IYISFKZAXHRWCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N6OS.C2HF3O2/c1-26-9-10-27(14-18-4-3-11-30-18)15-20(26)22-19-7-5-17(13-28(19)25-24-22)16-6-8-21(29-2)23-12-16;3-2(4,5)1(6)7/h3-8,11-13,20H,9-10,14-15H2,1-2H3;(H,6,7).

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

6-(6-methoxy-3-pyridinyl)-3-[1-methyl-4-(thiophen-2-ylmethyl)piperazin-2-yl]triazolo[1,5-a]pyridine;2,2,2-trifluoroacetic acid has a molecular weight of 534.56 g/mol, XLogP of 3.98, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 6-(6-methoxy-3-pyridinyl)-3-[1-methyl-4-(thiophen-2-ylmethyl)piperazin-2-yl]triazolo[1,5-a]pyridine;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 171693603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).