5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-3-[4-[[(3S)-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-[(1S,3R)-3-[[4-[5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]methylamino]cyclopentyl]ethanone;N-[[4-[5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]methyl]-2-methoxy-N-methylethanamine;N-[[4-[5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]methyl]propan-2-amine

C136H121F6N35O8 — CID 157229274

About 5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-3-[4-[[(3S)-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-[(1S,3R)-3-[[4-[5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]methylamino]cyclopentyl]ethanone;N-[[4-[5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]methyl]-2-methoxy-N-methylethanamine;N-[[4-[5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]methyl]propan-2-amine

5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-3-[4-[[(3S)-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-[(1S,3R)-3-[[4-[5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]methylamino]cyclopentyl]ethanone;N-[[4-[5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]methyl]-2-methoxy-N-methylethanamine;N-[[4-[5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]methyl]propan-2-amine (PubChem CID 157229274) has the molecular formula C136H121F6N35O8 and a molecular weight of 2487.69 g/mol. Its IUPAC name is 5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-3-[4-[[(3S)-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-[(1S,3R)-3-[[4-[5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]methylamino]cyclopentyl]ethanone;N-[[4-[5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]methyl]-2-methoxy-N-methylethanamine;N-[[4-[5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]methyl]propan-2-amine.

Molecular Properties

• Compound Name: 5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-3-[4-[[(3S)-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-[(1S,3R)-3-[[4-[5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]methylamino]cyclopentyl]ethanone;N-[[4-[5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]methyl]-2-methoxy-N-methylethanamine;N-[[4-[5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]methyl]propan-2-amine
• PubChem CID: 157229274
• Molecular Formula: C136H121F6N35O8
• Molecular Weight: 2487.69 g/mol
• Exact Mass: 2486.00
• IUPAC Name: 5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-3-[4-[[(3S)-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-[(1S,3R)-3-[[4-[5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]methylamino]cyclopentyl]ethanone;N-[[4-[5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]methyl]-2-methoxy-N-methylethanamine;N-[[4-[5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]methyl]propan-2-amine
• SMILES: C=C(O)C1CCC(NCc2ccc(-c3noc(-c4nnn(-c5ccccc5F)c4-c4ccncc4)n3)cc2)CC1.CC(=O)[C@H]1CC[C@@H](NCc2ccc(-c3noc(-c4nnn(-c5ccccc5F)c4-c4ccncc4)n3)cc2)C1.CC(C)NCc1ccc(-c2noc(-c3nnn(-c4ccccc4F)c3-c3ccncc3)n2)cc1.COCCN(C)Cc1ccc(-c2noc(-c3nnn(-c4ccccc4F)c3-c3ccncc3)n2)cc1.Fc1ccccc1-n1nnc(-c2nc(-c3ccc(CN4CC[C@H](F)C4)cc3)no2)c1-c1ccncc1
• InChI: InChI=1S/C30H28FN7O2.C29H26FN7O2.C26H21F2N7O.C26H24FN7O2.C25H22FN7O/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;1-18(38)22-10-11-23(16-22)32-17-19-6-8-21(9-7-19)28-33-29(39-35-28)26-27(20-12-14-31-15-13-20)37(36-34-26)25-5-3-2-4-24(25)30;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;1-33(15-16-35-2)17-18-7-9-20(10-8-18)25-29-26(36-31-25)23-24(19-11-13-28-14-12-19)34(32-30-23)22-6-4-3-5-21(22)27;1-16(2)28-15-17-7-9-19(10-8-17)24-29-25(34-31-24)22-23(18-11-13-27-14-12-18)33(32-30-22)21-6-4-3-5-20(21)26/h2-9,14-17,21,24,33,39H,1,10-13,18H2;2-9,12-15,22-23,32H,10-11,16-17H2,1H3;1-10,12-13,20H,11,14-16H2;3-14H,15-17H2,1-2H3;3-14,16,28H,15H2,1-2H3/t;22-,23+;20-;;/m.00../s1
• InChIKey: ATXMZOGEEHGMTM-FVWKAORXSA-N
• XLogP: 24.61
• TPSA: 501.70 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 43
• Rotatable Bonds: 38
• Heavy Atoms: 185
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2487.69
LogP ≤ 5	24.61
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	43

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-3-[4-[[(3S)-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-[(1S,3R)-3-[[4-[5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]methylamino]cyclopentyl]ethanone;N-[[4-[5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]methyl]-2-methoxy-N-methylethanamine;N-[[4-[5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]methyl]propan-2-amine?

The IUPAC name of 5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-3-[4-[[(3S)-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-[(1S,3R)-3-[[4-[5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]methylamino]cyclopentyl]ethanone;N-[[4-[5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]methyl]-2-methoxy-N-methylethanamine;N-[[4-[5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]methyl]propan-2-amine (CID 157229274) is 5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-3-[4-[[(3S)-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-[(1S,3R)-3-[[4-[5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]methylamino]cyclopentyl]ethanone;N-[[4-[5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]methyl]-2-methoxy-N-methylethanamine;N-[[4-[5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]methyl]propan-2-amine.

What is the SMILES notation for 5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-3-[4-[[(3S)-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-[(1S,3R)-3-[[4-[5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]methylamino]cyclopentyl]ethanone;N-[[4-[5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]methyl]-2-methoxy-N-methylethanamine;N-[[4-[5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]methyl]propan-2-amine?

The canonical SMILES for 5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-3-[4-[[(3S)-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-[(1S,3R)-3-[[4-[5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]methylamino]cyclopentyl]ethanone;N-[[4-[5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]methyl]-2-methoxy-N-methylethanamine;N-[[4-[5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]methyl]propan-2-amine is C=C(O)C1CCC(NCc2ccc(-c3noc(-c4nnn(-c5ccccc5F)c4-c4ccncc4)n3)cc2)CC1.CC(=O)[C@H]1CC[C@@H](NCc2ccc(-c3noc(-c4nnn(-c5ccccc5F)c4-c4ccncc4)n3)cc2)C1.CC(C)NCc1ccc(-c2noc(-c3nnn(-c4ccccc4F)c3-c3ccncc3)n2)cc1.COCCN(C)Cc1ccc(-c2noc(-c3nnn(-c4ccccc4F)c3-c3ccncc3)n2)cc1.Fc1ccccc1-n1nnc(-c2nc(-c3ccc(CN4CC[C@H](F)C4)cc3)no2)c1-c1ccncc1.

What is the InChIKey of 5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-3-[4-[[(3S)-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-[(1S,3R)-3-[[4-[5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]methylamino]cyclopentyl]ethanone;N-[[4-[5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]methyl]-2-methoxy-N-methylethanamine;N-[[4-[5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]methyl]propan-2-amine?

The InChIKey is ATXMZOGEEHGMTM-FVWKAORXSA-N. The full InChI is InChI=1S/C30H28FN7O2.C29H26FN7O2.C26H21F2N7O.C26H24FN7O2.C25H22FN7O/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;1-18(38)22-10-11-23(16-22)32-17-19-6-8-21(9-7-19)28-33-29(39-35-28)26-27(20-12-14-31-15-13-20)37(36-34-26)25-5-3-2-4-24(25)30;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;1-33(15-16-35-2)17-18-7-9-20(10-8-18)25-29-26(36-31-25)23-24(19-11-13-28-14-12-19)34(32-30-23)22-6-4-3-5-21(22)27;1-16(2)28-15-17-7-9-19(10-8-17)24-29-25(34-31-24)22-23(18-11-13-27-14-12-18)33(32-30-22)21-6-4-3-5-20(21)26/h2-9,14-17,21,24,33,39H,1,10-13,18H2;2-9,12-15,22-23,32H,10-11,16-17H2,1H3;1-10,12-13,20H,11,14-16H2;3-14H,15-17H2,1-2H3;3-14,16,28H,15H2,1-2H3/t;22-,23+;20-;;/m.00../s1.

What are the key properties of 5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-3-[4-[[(3S)-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-[(1S,3R)-3-[[4-[5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]methylamino]cyclopentyl]ethanone;N-[[4-[5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]methyl]-2-methoxy-N-methylethanamine;N-[[4-[5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]methyl]propan-2-amine?

5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-3-[4-[[(3S)-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-[(1S,3R)-3-[[4-[5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]methylamino]cyclopentyl]ethanone;N-[[4-[5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]methyl]-2-methoxy-N-methylethanamine;N-[[4-[5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]methyl]propan-2-amine has a molecular weight of 2487.69 g/mol, XLogP of 24.61, 38 rotatable bonds, 4 hydrogen bond donors, and 43 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-3-[4-[[(3S)-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-[(1S,3R)-3-[[4-[5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]methylamino]cyclopentyl]ethanone;N-[[4-[5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]methyl]-2-methoxy-N-methylethanamine;N-[[4-[5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]methyl]propan-2-amine is sourced from PubChem (CID 157229274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).