5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-3-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]-1,2,4-oxadiazole;5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-3-[4-[(3-methylpyrrolidin-1-yl)methyl]phenyl]-1,2,4-oxadiazole;2-[[4-[5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]methyl-methylamino]ethanol;[4-[[4-[5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]methyl]morpholin-2-yl]methanol;[1-[[4-[5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]methyl]piperidin-3-yl]methanol

C135H122F5N35O9 — CID 160989353

About 5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-3-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]-1,2,4-oxadiazole;5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-3-[4-[(3-methylpyrrolidin-1-yl)methyl]phenyl]-1,2,4-oxadiazole;2-[[4-[5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]methyl-methylamino]ethanol;[4-[[4-[5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]methyl]morpholin-2-yl]methanol;[1-[[4-[5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]methyl]piperidin-3-yl]methanol

5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-3-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]-1,2,4-oxadiazole;5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-3-[4-[(3-methylpyrrolidin-1-yl)methyl]phenyl]-1,2,4-oxadiazole;2-[[4-[5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]methyl-methylamino]ethanol;[4-[[4-[5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]methyl]morpholin-2-yl]methanol;[1-[[4-[5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]methyl]piperidin-3-yl]methanol (PubChem CID 160989353) has the molecular formula C135H122F5N35O9 and a molecular weight of 2473.69 g/mol. Its IUPAC name is 5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-3-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]-1,2,4-oxadiazole;5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-3-[4-[(3-methylpyrrolidin-1-yl)methyl]phenyl]-1,2,4-oxadiazole;2-[[4-[5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]methyl-methylamino]ethanol;[4-[[4-[5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]methyl]morpholin-2-yl]methanol;[1-[[4-[5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]methyl]piperidin-3-yl]methanol.

Molecular Properties

• Compound Name: 5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-3-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]-1,2,4-oxadiazole;5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-3-[4-[(3-methylpyrrolidin-1-yl)methyl]phenyl]-1,2,4-oxadiazole;2-[[4-[5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]methyl-methylamino]ethanol;[4-[[4-[5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]methyl]morpholin-2-yl]methanol;[1-[[4-[5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]methyl]piperidin-3-yl]methanol
• PubChem CID: 160989353
• Molecular Formula: C135H122F5N35O9
• Molecular Weight: 2473.69 g/mol
• Exact Mass: 2472.01
• IUPAC Name: 5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-3-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]-1,2,4-oxadiazole;5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-3-[4-[(3-methylpyrrolidin-1-yl)methyl]phenyl]-1,2,4-oxadiazole;2-[[4-[5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]methyl-methylamino]ethanol;[4-[[4-[5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]methyl]morpholin-2-yl]methanol;[1-[[4-[5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]methyl]piperidin-3-yl]methanol
• SMILES: CC1CCN(Cc2ccc(-c3noc(-c4nnn(-c5ccccc5F)c4-c4ccncc4)n3)cc2)C1.CC1CCN(Cc2ccc(-c3noc(-c4nnn(-c5ccccc5F)c4-c4ccncc4)n3)cc2)CC1.CN(CCO)Cc1ccc(-c2noc(-c3nnn(-c4ccccc4F)c3-c3ccncc3)n2)cc1.OCC1CCCN(Cc2ccc(-c3noc(-c4nnn(-c5ccccc5F)c4-c4ccncc4)n3)cc2)C1.OCC1CN(Cc2ccc(-c3noc(-c4nnn(-c5ccccc5F)c4-c4ccncc4)n3)cc2)CCO1
• InChI: InChI=1S/C28H26FN7O2.C28H26FN7O.C27H24FN7O3.C27H24FN7O.C25H22FN7O2/c29-23-5-1-2-6-24(23)36-26(21-11-13-30-14-12-21)25(32-34-36)28-31-27(33-38-28)22-9-7-19(8-10-22)16-35-15-3-4-20(17-35)18-37;1-19-12-16-35(17-13-19)18-20-6-8-22(9-7-20)27-31-28(37-33-27)25-26(21-10-14-30-15-11-21)36(34-32-25)24-5-3-2-4-23(24)29;28-22-3-1-2-4-23(22)35-25(19-9-11-29-12-10-19)24(31-33-35)27-30-26(32-38-27)20-7-5-18(6-8-20)15-34-13-14-37-21(16-34)17-36;1-18-12-15-34(16-18)17-19-6-8-21(9-7-19)26-30-27(36-32-26)24-25(20-10-13-29-14-11-20)35(33-31-24)23-5-3-2-4-22(23)28;1-32(14-15-34)16-17-6-8-19(9-7-17)24-28-25(35-30-24)22-23(18-10-12-27-13-11-18)33(31-29-22)21-5-3-2-4-20(21)26/h1-2,5-14,20,37H,3-4,15-18H2;2-11,14-15,19H,12-13,16-18H2,1H3;1-12,21,36H,13-17H2;2-11,13-14,18H,12,15-17H2,1H3;2-13,34H,14-16H2,1H3
• InChIKey: TUKKITAPHWOWHP-UHFFFAOYSA-N
• XLogP: 21.82
• TPSA: 498.72 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 44
• Rotatable Bonds: 34
• Heavy Atoms: 184
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2473.69
LogP ≤ 5	21.82
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	44

Frequently Asked Questions

What is the IUPAC name of 5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-3-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]-1,2,4-oxadiazole;5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-3-[4-[(3-methylpyrrolidin-1-yl)methyl]phenyl]-1,2,4-oxadiazole;2-[[4-[5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]methyl-methylamino]ethanol;[4-[[4-[5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]methyl]morpholin-2-yl]methanol;[1-[[4-[5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]methyl]piperidin-3-yl]methanol?

The IUPAC name of 5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-3-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]-1,2,4-oxadiazole;5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-3-[4-[(3-methylpyrrolidin-1-yl)methyl]phenyl]-1,2,4-oxadiazole;2-[[4-[5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]methyl-methylamino]ethanol;[4-[[4-[5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]methyl]morpholin-2-yl]methanol;[1-[[4-[5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]methyl]piperidin-3-yl]methanol (CID 160989353) is 5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-3-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]-1,2,4-oxadiazole;5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-3-[4-[(3-methylpyrrolidin-1-yl)methyl]phenyl]-1,2,4-oxadiazole;2-[[4-[5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]methyl-methylamino]ethanol;[4-[[4-[5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]methyl]morpholin-2-yl]methanol;[1-[[4-[5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]methyl]piperidin-3-yl]methanol.

What is the SMILES notation for 5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-3-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]-1,2,4-oxadiazole;5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-3-[4-[(3-methylpyrrolidin-1-yl)methyl]phenyl]-1,2,4-oxadiazole;2-[[4-[5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]methyl-methylamino]ethanol;[4-[[4-[5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]methyl]morpholin-2-yl]methanol;[1-[[4-[5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]methyl]piperidin-3-yl]methanol?

The canonical SMILES for 5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-3-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]-1,2,4-oxadiazole;5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-3-[4-[(3-methylpyrrolidin-1-yl)methyl]phenyl]-1,2,4-oxadiazole;2-[[4-[5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]methyl-methylamino]ethanol;[4-[[4-[5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]methyl]morpholin-2-yl]methanol;[1-[[4-[5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]methyl]piperidin-3-yl]methanol is CC1CCN(Cc2ccc(-c3noc(-c4nnn(-c5ccccc5F)c4-c4ccncc4)n3)cc2)C1.CC1CCN(Cc2ccc(-c3noc(-c4nnn(-c5ccccc5F)c4-c4ccncc4)n3)cc2)CC1.CN(CCO)Cc1ccc(-c2noc(-c3nnn(-c4ccccc4F)c3-c3ccncc3)n2)cc1.OCC1CCCN(Cc2ccc(-c3noc(-c4nnn(-c5ccccc5F)c4-c4ccncc4)n3)cc2)C1.OCC1CN(Cc2ccc(-c3noc(-c4nnn(-c5ccccc5F)c4-c4ccncc4)n3)cc2)CCO1.

What is the InChIKey of 5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-3-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]-1,2,4-oxadiazole;5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-3-[4-[(3-methylpyrrolidin-1-yl)methyl]phenyl]-1,2,4-oxadiazole;2-[[4-[5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]methyl-methylamino]ethanol;[4-[[4-[5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]methyl]morpholin-2-yl]methanol;[1-[[4-[5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]methyl]piperidin-3-yl]methanol?

The InChIKey is TUKKITAPHWOWHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H26FN7O2.C28H26FN7O.C27H24FN7O3.C27H24FN7O.C25H22FN7O2/c29-23-5-1-2-6-24(23)36-26(21-11-13-30-14-12-21)25(32-34-36)28-31-27(33-38-28)22-9-7-19(8-10-22)16-35-15-3-4-20(17-35)18-37;1-19-12-16-35(17-13-19)18-20-6-8-22(9-7-20)27-31-28(37-33-27)25-26(21-10-14-30-15-11-21)36(34-32-25)24-5-3-2-4-23(24)29;28-22-3-1-2-4-23(22)35-25(19-9-11-29-12-10-19)24(31-33-35)27-30-26(32-38-27)20-7-5-18(6-8-20)15-34-13-14-37-21(16-34)17-36;1-18-12-15-34(16-18)17-19-6-8-21(9-7-19)26-30-27(36-32-26)24-25(20-10-13-29-14-11-20)35(33-31-24)23-5-3-2-4-22(23)28;1-32(14-15-34)16-17-6-8-19(9-7-17)24-28-25(35-30-24)22-23(18-10-12-27-13-11-18)33(31-29-22)21-5-3-2-4-20(21)26/h1-2,5-14,20,37H,3-4,15-18H2;2-11,14-15,19H,12-13,16-18H2,1H3;1-12,21,36H,13-17H2;2-11,13-14,18H,12,15-17H2,1H3;2-13,34H,14-16H2,1H3.

What are the key properties of 5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-3-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]-1,2,4-oxadiazole;5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-3-[4-[(3-methylpyrrolidin-1-yl)methyl]phenyl]-1,2,4-oxadiazole;2-[[4-[5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]methyl-methylamino]ethanol;[4-[[4-[5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]methyl]morpholin-2-yl]methanol;[1-[[4-[5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]methyl]piperidin-3-yl]methanol?

5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-3-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]-1,2,4-oxadiazole;5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-3-[4-[(3-methylpyrrolidin-1-yl)methyl]phenyl]-1,2,4-oxadiazole;2-[[4-[5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]methyl-methylamino]ethanol;[4-[[4-[5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]methyl]morpholin-2-yl]methanol;[1-[[4-[5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]methyl]piperidin-3-yl]methanol has a molecular weight of 2473.69 g/mol, XLogP of 21.82, 34 rotatable bonds, 3 hydrogen bond donors, and 44 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-3-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]-1,2,4-oxadiazole;5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-3-[4-[(3-methylpyrrolidin-1-yl)methyl]phenyl]-1,2,4-oxadiazole;2-[[4-[5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]methyl-methylamino]ethanol;[4-[[4-[5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]methyl]morpholin-2-yl]methanol;[1-[[4-[5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]methyl]piperidin-3-yl]methanol is sourced from PubChem (CID 160989353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).