7-[[4-(2-bromo-4-(18F)fluorophenyl)piperazin-1-yl]methyl]-3-(cyclopropylmethyl)-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine;3-(cyclopropylmethyl)-7-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine;3-(cyclopropylmethyl)-7-[[4-(3-fluorophenyl)piperazin-1-yl]methyl]-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine;3-(cyclopropylmethyl)-7-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine

C88H91BrF16N20 — CID 160795454

About 7-[[4-(2-bromo-4-(18F)fluorophenyl)piperazin-1-yl]methyl]-3-(cyclopropylmethyl)-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine;3-(cyclopropylmethyl)-7-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine;3-(cyclopropylmethyl)-7-[[4-(3-fluorophenyl)piperazin-1-yl]methyl]-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine;3-(cyclopropylmethyl)-7-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine

7-[[4-(2-bromo-4-(18F)fluorophenyl)piperazin-1-yl]methyl]-3-(cyclopropylmethyl)-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine;3-(cyclopropylmethyl)-7-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine;3-(cyclopropylmethyl)-7-[[4-(3-fluorophenyl)piperazin-1-yl]methyl]-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine;3-(cyclopropylmethyl)-7-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine (PubChem CID 160795454) has the molecular formula C88H91BrF16N20 and a molecular weight of 1808.72 g/mol. Its IUPAC name is 7-[[4-(2-bromo-4-(18F)fluorophenyl)piperazin-1-yl]methyl]-3-(cyclopropylmethyl)-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine;3-(cyclopropylmethyl)-7-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine;3-(cyclopropylmethyl)-7-[[4-(3-fluorophenyl)piperazin-1-yl]methyl]-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine;3-(cyclopropylmethyl)-7-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine.

Molecular Properties

• Compound Name: 7-[[4-(2-bromo-4-(18F)fluorophenyl)piperazin-1-yl]methyl]-3-(cyclopropylmethyl)-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine;3-(cyclopropylmethyl)-7-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine;3-(cyclopropylmethyl)-7-[[4-(3-fluorophenyl)piperazin-1-yl]methyl]-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine;3-(cyclopropylmethyl)-7-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine
• PubChem CID: 160795454
• Molecular Formula: C88H91BrF16N20
• Molecular Weight: 1808.72 g/mol
• Exact Mass: 1806.68
• IUPAC Name: 7-[[4-(2-bromo-4-(18F)fluorophenyl)piperazin-1-yl]methyl]-3-(cyclopropylmethyl)-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine;3-(cyclopropylmethyl)-7-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine;3-(cyclopropylmethyl)-7-[[4-(3-fluorophenyl)piperazin-1-yl]methyl]-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine;3-(cyclopropylmethyl)-7-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine
• SMILES: FC(F)(F)c1c(CN2CCN(c3ccc([18F])cc3)CC2)ccn2c(CC3CC3)nnc12.FC(F)(F)c1c(CN2CCN(c3ccc([18F])cc3Br)CC2)ccn2c(CC3CC3)nnc12.FC(F)(F)c1c(CN2CCN(c3cccc([18F])c3)CC2)ccn2c(CC3CC3)nnc12.FC(F)(F)c1c(CN2CCN(c3ccccc3[18F])CC2)ccn2c(CC3CC3)nnc12
• InChI: InChI=1S/C22H22BrF4N5.3C22H23F4N5/c23-17-12-16(24)3-4-18(17)31-9-7-30(8-10-31)13-15-5-6-32-19(11-14-1-2-14)28-29-21(32)20(15)22(25,26)27;23-17-3-5-18(6-4-17)30-11-9-29(10-12-30)14-16-7-8-31-19(13-15-1-2-15)27-28-21(31)20(16)22(24,25)26;23-17-2-1-3-18(13-17)30-10-8-29(9-11-30)14-16-6-7-31-19(12-15-4-5-15)27-28-21(31)20(16)22(24,25)26;23-17-3-1-2-4-18(17)30-11-9-29(10-12-30)14-16-7-8-31-19(13-15-5-6-15)27-28-21(31)20(16)22(24,25)26/h3-6,12,14H,1-2,7-11,13H2;3-8,15H,1-2,9-14H2;1-3,6-7,13,15H,4-5,8-12,14H2;1-4,7-8,15H,5-6,9-14H2/i24-1;3*23-1
• InChIKey: SCJOAJUSDRWIGJ-MXZMJAHZSA-N
• XLogP: 17.41
• TPSA: 146.68 Ų
• H-Bond Acceptors: 20
• Rotatable Bonds: 20
• Heavy Atoms: 125
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1808.72
LogP ≤ 5	17.41
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	20

Frequently Asked Questions

What is the IUPAC name of 7-[[4-(2-bromo-4-(18F)fluorophenyl)piperazin-1-yl]methyl]-3-(cyclopropylmethyl)-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine;3-(cyclopropylmethyl)-7-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine;3-(cyclopropylmethyl)-7-[[4-(3-fluorophenyl)piperazin-1-yl]methyl]-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine;3-(cyclopropylmethyl)-7-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine?

The IUPAC name of 7-[[4-(2-bromo-4-(18F)fluorophenyl)piperazin-1-yl]methyl]-3-(cyclopropylmethyl)-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine;3-(cyclopropylmethyl)-7-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine;3-(cyclopropylmethyl)-7-[[4-(3-fluorophenyl)piperazin-1-yl]methyl]-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine;3-(cyclopropylmethyl)-7-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine (CID 160795454) is 7-[[4-(2-bromo-4-(18F)fluorophenyl)piperazin-1-yl]methyl]-3-(cyclopropylmethyl)-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine;3-(cyclopropylmethyl)-7-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine;3-(cyclopropylmethyl)-7-[[4-(3-fluorophenyl)piperazin-1-yl]methyl]-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine;3-(cyclopropylmethyl)-7-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine.

What is the SMILES notation for 7-[[4-(2-bromo-4-(18F)fluorophenyl)piperazin-1-yl]methyl]-3-(cyclopropylmethyl)-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine;3-(cyclopropylmethyl)-7-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine;3-(cyclopropylmethyl)-7-[[4-(3-fluorophenyl)piperazin-1-yl]methyl]-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine;3-(cyclopropylmethyl)-7-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine?

The canonical SMILES for 7-[[4-(2-bromo-4-(18F)fluorophenyl)piperazin-1-yl]methyl]-3-(cyclopropylmethyl)-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine;3-(cyclopropylmethyl)-7-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine;3-(cyclopropylmethyl)-7-[[4-(3-fluorophenyl)piperazin-1-yl]methyl]-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine;3-(cyclopropylmethyl)-7-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine is FC(F)(F)c1c(CN2CCN(c3ccc([18F])cc3)CC2)ccn2c(CC3CC3)nnc12.FC(F)(F)c1c(CN2CCN(c3ccc([18F])cc3Br)CC2)ccn2c(CC3CC3)nnc12.FC(F)(F)c1c(CN2CCN(c3cccc([18F])c3)CC2)ccn2c(CC3CC3)nnc12.FC(F)(F)c1c(CN2CCN(c3ccccc3[18F])CC2)ccn2c(CC3CC3)nnc12.

What is the InChIKey of 7-[[4-(2-bromo-4-(18F)fluorophenyl)piperazin-1-yl]methyl]-3-(cyclopropylmethyl)-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine;3-(cyclopropylmethyl)-7-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine;3-(cyclopropylmethyl)-7-[[4-(3-fluorophenyl)piperazin-1-yl]methyl]-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine;3-(cyclopropylmethyl)-7-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine?

The InChIKey is SCJOAJUSDRWIGJ-MXZMJAHZSA-N. The full InChI is InChI=1S/C22H22BrF4N5.3C22H23F4N5/c23-17-12-16(24)3-4-18(17)31-9-7-30(8-10-31)13-15-5-6-32-19(11-14-1-2-14)28-29-21(32)20(15)22(25,26)27;23-17-3-5-18(6-4-17)30-11-9-29(10-12-30)14-16-7-8-31-19(13-15-1-2-15)27-28-21(31)20(16)22(24,25)26;23-17-2-1-3-18(13-17)30-10-8-29(9-11-30)14-16-6-7-31-19(12-15-4-5-15)27-28-21(31)20(16)22(24,25)26;23-17-3-1-2-4-18(17)30-11-9-29(10-12-30)14-16-7-8-31-19(13-15-5-6-15)27-28-21(31)20(16)22(24,25)26/h3-6,12,14H,1-2,7-11,13H2;3-8,15H,1-2,9-14H2;1-3,6-7,13,15H,4-5,8-12,14H2;1-4,7-8,15H,5-6,9-14H2/i24-1;3*23-1.

What are the key properties of 7-[[4-(2-bromo-4-(18F)fluorophenyl)piperazin-1-yl]methyl]-3-(cyclopropylmethyl)-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine;3-(cyclopropylmethyl)-7-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine;3-(cyclopropylmethyl)-7-[[4-(3-fluorophenyl)piperazin-1-yl]methyl]-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine;3-(cyclopropylmethyl)-7-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine?

7-[[4-(2-bromo-4-(18F)fluorophenyl)piperazin-1-yl]methyl]-3-(cyclopropylmethyl)-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine;3-(cyclopropylmethyl)-7-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine;3-(cyclopropylmethyl)-7-[[4-(3-fluorophenyl)piperazin-1-yl]methyl]-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine;3-(cyclopropylmethyl)-7-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine has a molecular weight of 1808.72 g/mol, XLogP of 17.41, 20 rotatable bonds, 0 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for 7-[[4-(2-bromo-4-(18F)fluorophenyl)piperazin-1-yl]methyl]-3-(cyclopropylmethyl)-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine;3-(cyclopropylmethyl)-7-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine;3-(cyclopropylmethyl)-7-[[4-(3-fluorophenyl)piperazin-1-yl]methyl]-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine;3-(cyclopropylmethyl)-7-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine is sourced from PubChem (CID 160795454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).