3-[4-[(4-fluoro-4-methylpiperidin-1-yl)methyl]phenyl]-5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazole;5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-3-[4-[[(3R)-3-fluoropyrrolidin-1-yl]methyl]phenyl]-1,2,4-oxadiazole;1-[4-[[4-[5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]methylamino]cyclohexyl]ethenol;1-[1-[[4-[5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]methylamino]cyclopropyl]ethanone;N-[[4-[5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]methyl]cyclopropanamine

C136H116F7N35O7 — CID 161232443

About 3-[4-[(4-fluoro-4-methylpiperidin-1-yl)methyl]phenyl]-5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazole;5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-3-[4-[[(3R)-3-fluoropyrrolidin-1-yl]methyl]phenyl]-1,2,4-oxadiazole;1-[4-[[4-[5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]methylamino]cyclohexyl]ethenol;1-[1-[[4-[5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]methylamino]cyclopropyl]ethanone;N-[[4-[5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]methyl]cyclopropanamine

3-[4-[(4-fluoro-4-methylpiperidin-1-yl)methyl]phenyl]-5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazole;5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-3-[4-[[(3R)-3-fluoropyrrolidin-1-yl]methyl]phenyl]-1,2,4-oxadiazole;1-[4-[[4-[5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]methylamino]cyclohexyl]ethenol;1-[1-[[4-[5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]methylamino]cyclopropyl]ethanone;N-[[4-[5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]methyl]cyclopropanamine (PubChem CID 161232443) has the molecular formula C136H116F7N35O7 and a molecular weight of 2485.65 g/mol. Its IUPAC name is 3-[4-[(4-fluoro-4-methylpiperidin-1-yl)methyl]phenyl]-5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazole;5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-3-[4-[[(3R)-3-fluoropyrrolidin-1-yl]methyl]phenyl]-1,2,4-oxadiazole;1-[4-[[4-[5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]methylamino]cyclohexyl]ethenol;1-[1-[[4-[5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]methylamino]cyclopropyl]ethanone;N-[[4-[5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]methyl]cyclopropanamine.

Molecular Properties

• Compound Name: 3-[4-[(4-fluoro-4-methylpiperidin-1-yl)methyl]phenyl]-5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazole;5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-3-[4-[[(3R)-3-fluoropyrrolidin-1-yl]methyl]phenyl]-1,2,4-oxadiazole;1-[4-[[4-[5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]methylamino]cyclohexyl]ethenol;1-[1-[[4-[5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]methylamino]cyclopropyl]ethanone;N-[[4-[5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]methyl]cyclopropanamine
• PubChem CID: 161232443
• Molecular Formula: C136H116F7N35O7
• Molecular Weight: 2485.65 g/mol
• Exact Mass: 2483.97
• IUPAC Name: 3-[4-[(4-fluoro-4-methylpiperidin-1-yl)methyl]phenyl]-5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazole;5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-3-[4-[[(3R)-3-fluoropyrrolidin-1-yl]methyl]phenyl]-1,2,4-oxadiazole;1-[4-[[4-[5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]methylamino]cyclohexyl]ethenol;1-[1-[[4-[5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]methylamino]cyclopropyl]ethanone;N-[[4-[5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]methyl]cyclopropanamine
• SMILES: C=C(O)C1CCC(NCc2ccc(-c3noc(-c4nnn(-c5ccccc5F)c4-c4ccncc4)n3)cc2)CC1.CC(=O)C1(NCc2ccc(-c3noc(-c4nnn(-c5ccccc5F)c4-c4ccncc4)n3)cc2)CC1.CC1(F)CCN(Cc2ccc(-c3noc(-c4nnn(-c5ccccc5F)c4-c4ccncc4)n3)cc2)CC1.Fc1ccccc1-n1nnc(-c2nc(-c3ccc(CN4CC[C@@H](F)C4)cc3)no2)c1-c1ccncc1.Fc1ccccc1-n1nnc(-c2nc(-c3ccc(CNC4CC4)cc3)no2)c1-c1ccncc1
• InChI: InChI=1S/C30H28FN7O2.C28H25F2N7O.C27H22FN7O2.C26H21F2N7O.C25H20FN7O/c1-19(39)21-10-12-24(13-11-21)33-18-20-6-8-23(9-7-20)29-34-30(40-36-29)27-28(22-14-16-32-17-15-22)38(37-35-27)26-5-3-2-4-25(26)31;1-28(30)12-16-36(17-13-28)18-19-6-8-21(9-7-19)26-32-27(38-34-26)24-25(20-10-14-31-15-11-20)37(35-33-24)23-5-3-2-4-22(23)29;1-17(36)27(12-13-27)30-16-18-6-8-20(9-7-18)25-31-26(37-33-25)23-24(19-10-14-29-15-11-19)35(34-32-23)22-5-3-2-4-21(22)28;27-20-11-14-34(16-20)15-17-5-7-19(8-6-17)25-30-26(36-32-25)23-24(18-9-12-29-13-10-18)35(33-31-23)22-4-2-1-3-21(22)28;26-20-3-1-2-4-21(20)33-23(17-11-13-27-14-12-17)22(30-32-33)25-29-24(31-34-25)18-7-5-16(6-8-18)15-28-19-9-10-19/h2-9,14-17,21,24,33,39H,1,10-13,18H2;2-11,14-15H,12-13,16-18H2,1H3;2-11,14-15,30H,12-13,16H2,1H3;1-10,12-13,20H,11,14-16H2;1-8,11-14,19,28H,9-10,15H2/t;;;20-;/m...1./s1
• InChIKey: UYXVJYKRWZQGMI-NEQOQZDDSA-N
• XLogP: 24.98
• TPSA: 492.47 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 42
• Rotatable Bonds: 35
• Heavy Atoms: 185
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2485.65
LogP ≤ 5	24.98
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	42

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 3-[4-[(4-fluoro-4-methylpiperidin-1-yl)methyl]phenyl]-5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazole;5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-3-[4-[[(3R)-3-fluoropyrrolidin-1-yl]methyl]phenyl]-1,2,4-oxadiazole;1-[4-[[4-[5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]methylamino]cyclohexyl]ethenol;1-[1-[[4-[5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]methylamino]cyclopropyl]ethanone;N-[[4-[5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]methyl]cyclopropanamine?

The IUPAC name of 3-[4-[(4-fluoro-4-methylpiperidin-1-yl)methyl]phenyl]-5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazole;5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-3-[4-[[(3R)-3-fluoropyrrolidin-1-yl]methyl]phenyl]-1,2,4-oxadiazole;1-[4-[[4-[5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]methylamino]cyclohexyl]ethenol;1-[1-[[4-[5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]methylamino]cyclopropyl]ethanone;N-[[4-[5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]methyl]cyclopropanamine (CID 161232443) is 3-[4-[(4-fluoro-4-methylpiperidin-1-yl)methyl]phenyl]-5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazole;5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-3-[4-[[(3R)-3-fluoropyrrolidin-1-yl]methyl]phenyl]-1,2,4-oxadiazole;1-[4-[[4-[5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]methylamino]cyclohexyl]ethenol;1-[1-[[4-[5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]methylamino]cyclopropyl]ethanone;N-[[4-[5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]methyl]cyclopropanamine.

What is the SMILES notation for 3-[4-[(4-fluoro-4-methylpiperidin-1-yl)methyl]phenyl]-5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazole;5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-3-[4-[[(3R)-3-fluoropyrrolidin-1-yl]methyl]phenyl]-1,2,4-oxadiazole;1-[4-[[4-[5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]methylamino]cyclohexyl]ethenol;1-[1-[[4-[5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]methylamino]cyclopropyl]ethanone;N-[[4-[5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]methyl]cyclopropanamine?

The canonical SMILES for 3-[4-[(4-fluoro-4-methylpiperidin-1-yl)methyl]phenyl]-5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazole;5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-3-[4-[[(3R)-3-fluoropyrrolidin-1-yl]methyl]phenyl]-1,2,4-oxadiazole;1-[4-[[4-[5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]methylamino]cyclohexyl]ethenol;1-[1-[[4-[5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]methylamino]cyclopropyl]ethanone;N-[[4-[5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]methyl]cyclopropanamine is C=C(O)C1CCC(NCc2ccc(-c3noc(-c4nnn(-c5ccccc5F)c4-c4ccncc4)n3)cc2)CC1.CC(=O)C1(NCc2ccc(-c3noc(-c4nnn(-c5ccccc5F)c4-c4ccncc4)n3)cc2)CC1.CC1(F)CCN(Cc2ccc(-c3noc(-c4nnn(-c5ccccc5F)c4-c4ccncc4)n3)cc2)CC1.Fc1ccccc1-n1nnc(-c2nc(-c3ccc(CN4CC[C@@H](F)C4)cc3)no2)c1-c1ccncc1.Fc1ccccc1-n1nnc(-c2nc(-c3ccc(CNC4CC4)cc3)no2)c1-c1ccncc1.

What is the InChIKey of 3-[4-[(4-fluoro-4-methylpiperidin-1-yl)methyl]phenyl]-5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazole;5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-3-[4-[[(3R)-3-fluoropyrrolidin-1-yl]methyl]phenyl]-1,2,4-oxadiazole;1-[4-[[4-[5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]methylamino]cyclohexyl]ethenol;1-[1-[[4-[5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]methylamino]cyclopropyl]ethanone;N-[[4-[5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]methyl]cyclopropanamine?

The InChIKey is UYXVJYKRWZQGMI-NEQOQZDDSA-N. The full InChI is InChI=1S/C30H28FN7O2.C28H25F2N7O.C27H22FN7O2.C26H21F2N7O.C25H20FN7O/c1-19(39)21-10-12-24(13-11-21)33-18-20-6-8-23(9-7-20)29-34-30(40-36-29)27-28(22-14-16-32-17-15-22)38(37-35-27)26-5-3-2-4-25(26)31;1-28(30)12-16-36(17-13-28)18-19-6-8-21(9-7-19)26-32-27(38-34-26)24-25(20-10-14-31-15-11-20)37(35-33-24)23-5-3-2-4-22(23)29;1-17(36)27(12-13-27)30-16-18-6-8-20(9-7-18)25-31-26(37-33-25)23-24(19-10-14-29-15-11-19)35(34-32-23)22-5-3-2-4-21(22)28;27-20-11-14-34(16-20)15-17-5-7-19(8-6-17)25-30-26(36-32-25)23-24(18-9-12-29-13-10-18)35(33-31-23)22-4-2-1-3-21(22)28;26-20-3-1-2-4-21(20)33-23(17-11-13-27-14-12-17)22(30-32-33)25-29-24(31-34-25)18-7-5-16(6-8-18)15-28-19-9-10-19/h2-9,14-17,21,24,33,39H,1,10-13,18H2;2-11,14-15H,12-13,16-18H2,1H3;2-11,14-15,30H,12-13,16H2,1H3;1-10,12-13,20H,11,14-16H2;1-8,11-14,19,28H,9-10,15H2/t;;;20-;/m...1./s1.

What are the key properties of 3-[4-[(4-fluoro-4-methylpiperidin-1-yl)methyl]phenyl]-5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazole;5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-3-[4-[[(3R)-3-fluoropyrrolidin-1-yl]methyl]phenyl]-1,2,4-oxadiazole;1-[4-[[4-[5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]methylamino]cyclohexyl]ethenol;1-[1-[[4-[5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]methylamino]cyclopropyl]ethanone;N-[[4-[5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]methyl]cyclopropanamine?

3-[4-[(4-fluoro-4-methylpiperidin-1-yl)methyl]phenyl]-5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazole;5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-3-[4-[[(3R)-3-fluoropyrrolidin-1-yl]methyl]phenyl]-1,2,4-oxadiazole;1-[4-[[4-[5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]methylamino]cyclohexyl]ethenol;1-[1-[[4-[5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]methylamino]cyclopropyl]ethanone;N-[[4-[5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]methyl]cyclopropanamine has a molecular weight of 2485.65 g/mol, XLogP of 24.98, 35 rotatable bonds, 4 hydrogen bond donors, and 42 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[4-[(4-fluoro-4-methylpiperidin-1-yl)methyl]phenyl]-5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazole;5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-3-[4-[[(3R)-3-fluoropyrrolidin-1-yl]methyl]phenyl]-1,2,4-oxadiazole;1-[4-[[4-[5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]methylamino]cyclohexyl]ethenol;1-[1-[[4-[5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]methylamino]cyclopropyl]ethanone;N-[[4-[5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]methyl]cyclopropanamine is sourced from PubChem (CID 161232443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).