7-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]-3-(cyclopropylmethyl)-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine;7-[[4-(4-chlorophenyl)piperazin-1-yl]methyl]-3-(cyclopropylmethyl)-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine;3-(cyclopropylmethyl)-7-[[4-(2,6-dichlorophenyl)piperazin-1-yl]methyl]-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine

C66H68Cl4F9N15 — CID 162048571

About 7-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]-3-(cyclopropylmethyl)-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine;7-[[4-(4-chlorophenyl)piperazin-1-yl]methyl]-3-(cyclopropylmethyl)-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine;3-(cyclopropylmethyl)-7-[[4-(2,6-dichlorophenyl)piperazin-1-yl]methyl]-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine

7-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]-3-(cyclopropylmethyl)-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine;7-[[4-(4-chlorophenyl)piperazin-1-yl]methyl]-3-(cyclopropylmethyl)-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine;3-(cyclopropylmethyl)-7-[[4-(2,6-dichlorophenyl)piperazin-1-yl]methyl]-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine (PubChem CID 162048571) has the molecular formula C66H68Cl4F9N15 and a molecular weight of 1384.17 g/mol. Its IUPAC name is 7-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]-3-(cyclopropylmethyl)-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine;7-[[4-(4-chlorophenyl)piperazin-1-yl]methyl]-3-(cyclopropylmethyl)-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine;3-(cyclopropylmethyl)-7-[[4-(2,6-dichlorophenyl)piperazin-1-yl]methyl]-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine.

Molecular Properties

• Compound Name: 7-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]-3-(cyclopropylmethyl)-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine;7-[[4-(4-chlorophenyl)piperazin-1-yl]methyl]-3-(cyclopropylmethyl)-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine;3-(cyclopropylmethyl)-7-[[4-(2,6-dichlorophenyl)piperazin-1-yl]methyl]-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine
• PubChem CID: 162048571
• Molecular Formula: C66H68Cl4F9N15
• Molecular Weight: 1384.17 g/mol
• Exact Mass: 1381.44
• IUPAC Name: 7-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]-3-(cyclopropylmethyl)-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine;7-[[4-(4-chlorophenyl)piperazin-1-yl]methyl]-3-(cyclopropylmethyl)-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine;3-(cyclopropylmethyl)-7-[[4-(2,6-dichlorophenyl)piperazin-1-yl]methyl]-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine
• SMILES: FC(F)(F)c1c(CN2CCN(c3c(Cl)cccc3Cl)CC2)ccn2c(CC3CC3)nnc12.FC(F)(F)c1c(CN2CCN(c3ccc(Cl)cc3)CC2)ccn2c(CC3CC3)nnc12.FC(F)(F)c1c(CN2CCN(c3ccccc3Cl)CC2)ccn2c(CC3CC3)nnc12
• InChI: InChI=1S/C22H22Cl2F3N5.2C22H23ClF3N5/c23-16-2-1-3-17(24)20(16)31-10-8-30(9-11-31)13-15-6-7-32-18(12-14-4-5-14)28-29-21(32)19(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;23-17-3-1-2-4-18(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/h1-3,6-7,14H,4-5,8-13H2;3-8,15H,1-2,9-14H2;1-4,7-8,15H,5-6,9-14H2
• InChIKey: YYFXNGJBIMRKAT-UHFFFAOYSA-N
• XLogP: 14.68
• TPSA: 110.01 Ų
• H-Bond Acceptors: 15
• Rotatable Bonds: 15
• Heavy Atoms: 94
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1384.17
LogP ≤ 5	14.68
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	15

Frequently Asked Questions

What is the IUPAC name of 7-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]-3-(cyclopropylmethyl)-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine;7-[[4-(4-chlorophenyl)piperazin-1-yl]methyl]-3-(cyclopropylmethyl)-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine;3-(cyclopropylmethyl)-7-[[4-(2,6-dichlorophenyl)piperazin-1-yl]methyl]-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine?

The IUPAC name of 7-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]-3-(cyclopropylmethyl)-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine;7-[[4-(4-chlorophenyl)piperazin-1-yl]methyl]-3-(cyclopropylmethyl)-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine;3-(cyclopropylmethyl)-7-[[4-(2,6-dichlorophenyl)piperazin-1-yl]methyl]-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine (CID 162048571) is 7-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]-3-(cyclopropylmethyl)-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine;7-[[4-(4-chlorophenyl)piperazin-1-yl]methyl]-3-(cyclopropylmethyl)-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine;3-(cyclopropylmethyl)-7-[[4-(2,6-dichlorophenyl)piperazin-1-yl]methyl]-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine.

What is the SMILES notation for 7-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]-3-(cyclopropylmethyl)-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine;7-[[4-(4-chlorophenyl)piperazin-1-yl]methyl]-3-(cyclopropylmethyl)-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine;3-(cyclopropylmethyl)-7-[[4-(2,6-dichlorophenyl)piperazin-1-yl]methyl]-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine?

The canonical SMILES for 7-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]-3-(cyclopropylmethyl)-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine;7-[[4-(4-chlorophenyl)piperazin-1-yl]methyl]-3-(cyclopropylmethyl)-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine;3-(cyclopropylmethyl)-7-[[4-(2,6-dichlorophenyl)piperazin-1-yl]methyl]-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine is FC(F)(F)c1c(CN2CCN(c3c(Cl)cccc3Cl)CC2)ccn2c(CC3CC3)nnc12.FC(F)(F)c1c(CN2CCN(c3ccc(Cl)cc3)CC2)ccn2c(CC3CC3)nnc12.FC(F)(F)c1c(CN2CCN(c3ccccc3Cl)CC2)ccn2c(CC3CC3)nnc12.

What is the InChIKey of 7-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]-3-(cyclopropylmethyl)-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine;7-[[4-(4-chlorophenyl)piperazin-1-yl]methyl]-3-(cyclopropylmethyl)-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine;3-(cyclopropylmethyl)-7-[[4-(2,6-dichlorophenyl)piperazin-1-yl]methyl]-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine?

The InChIKey is YYFXNGJBIMRKAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22Cl2F3N5.2C22H23ClF3N5/c23-16-2-1-3-17(24)20(16)31-10-8-30(9-11-31)13-15-6-7-32-18(12-14-4-5-14)28-29-21(32)19(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;23-17-3-1-2-4-18(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/h1-3,6-7,14H,4-5,8-13H2;3-8,15H,1-2,9-14H2;1-4,7-8,15H,5-6,9-14H2.

What are the key properties of 7-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]-3-(cyclopropylmethyl)-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine;7-[[4-(4-chlorophenyl)piperazin-1-yl]methyl]-3-(cyclopropylmethyl)-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine;3-(cyclopropylmethyl)-7-[[4-(2,6-dichlorophenyl)piperazin-1-yl]methyl]-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine?

7-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]-3-(cyclopropylmethyl)-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine;7-[[4-(4-chlorophenyl)piperazin-1-yl]methyl]-3-(cyclopropylmethyl)-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine;3-(cyclopropylmethyl)-7-[[4-(2,6-dichlorophenyl)piperazin-1-yl]methyl]-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine has a molecular weight of 1384.17 g/mol, XLogP of 14.68, 15 rotatable bonds, 0 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for 7-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]-3-(cyclopropylmethyl)-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine;7-[[4-(4-chlorophenyl)piperazin-1-yl]methyl]-3-(cyclopropylmethyl)-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine;3-(cyclopropylmethyl)-7-[[4-(2,6-dichlorophenyl)piperazin-1-yl]methyl]-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine is sourced from PubChem (CID 162048571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).