3-[4-[(4,4-difluoropiperidin-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-[5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]methylamino]cyclopropane-1-carboxylic acid;1-[[4-[5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]methyl]piperidine-3-carboxylic acid;(2S)-1-[[4-[5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]methyl]pyrrolidine-2-carboxylic acid

C134H109F8N35O11 — CID 159143945

About 3-[4-[(4,4-difluoropiperidin-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-[5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]methylamino]cyclopropane-1-carboxylic acid;1-[[4-[5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]methyl]piperidine-3-carboxylic acid;(2S)-1-[[4-[5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]methyl]pyrrolidine-2-carboxylic acid

3-[4-[(4,4-difluoropiperidin-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-[5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]methylamino]cyclopropane-1-carboxylic acid;1-[[4-[5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]methyl]piperidine-3-carboxylic acid;(2S)-1-[[4-[5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]methyl]pyrrolidine-2-carboxylic acid (PubChem CID 159143945) has the molecular formula C134H109F8N35O11 and a molecular weight of 2537.56 g/mol. Its IUPAC name is 3-[4-[(4,4-difluoropiperidin-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-[5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]methylamino]cyclopropane-1-carboxylic acid;1-[[4-[5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]methyl]piperidine-3-carboxylic acid;(2S)-1-[[4-[5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]methyl]pyrrolidine-2-carboxylic acid.

Molecular Properties

• Compound Name: 3-[4-[(4,4-difluoropiperidin-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-[5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]methylamino]cyclopropane-1-carboxylic acid;1-[[4-[5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]methyl]piperidine-3-carboxylic acid;(2S)-1-[[4-[5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]methyl]pyrrolidine-2-carboxylic acid
• PubChem CID: 159143945
• Molecular Formula: C134H109F8N35O11
• Molecular Weight: 2537.56 g/mol
• Exact Mass: 2535.89
• IUPAC Name: 3-[4-[(4,4-difluoropiperidin-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-[5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]methylamino]cyclopropane-1-carboxylic acid;1-[[4-[5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]methyl]piperidine-3-carboxylic acid;(2S)-1-[[4-[5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]methyl]pyrrolidine-2-carboxylic acid
• SMILES: Fc1ccccc1-n1nnc(-c2nc(-c3ccc(CN4CCC(F)(F)CC4)cc3)no2)c1-c1ccncc1.Fc1ccccc1-n1nnc(-c2nc(-c3ccc(CN4CC[C@@H](F)C4)cc3)no2)c1-c1ccncc1.O=C(O)C1(NCc2ccc(-c3noc(-c4nnn(-c5ccccc5F)c4-c4ccncc4)n3)cc2)CC1.O=C(O)C1CCCN(Cc2ccc(-c3noc(-c4nnn(-c5ccccc5F)c4-c4ccncc4)n3)cc2)C1.O=C(O)[C@@H]1CCCN1Cc1ccc(-c2noc(-c3nnn(-c4ccccc4F)c3-c3ccncc3)n2)cc1
• InChI: InChI=1S/C28H24FN7O3.C27H22F3N7O.C27H22FN7O3.C26H21F2N7O.C26H20FN7O3/c29-22-5-1-2-6-23(22)36-25(19-11-13-30-14-12-19)24(32-34-36)27-31-26(33-39-27)20-9-7-18(8-10-20)16-35-15-3-4-21(17-35)28(37)38;28-21-3-1-2-4-22(21)37-24(19-9-13-31-14-10-19)23(33-35-37)26-32-25(34-38-26)20-7-5-18(6-8-20)17-36-15-11-27(29,30)12-16-36;28-20-4-1-2-5-21(20)35-24(18-11-13-29-14-12-18)23(31-33-35)26-30-25(32-38-26)19-9-7-17(8-10-19)16-34-15-3-6-22(34)27(36)37;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;27-19-3-1-2-4-20(19)34-22(17-9-13-28-14-10-17)21(31-33-34)24-30-23(32-37-24)18-7-5-16(6-8-18)15-29-26(11-12-26)25(35)36/h1-2,5-14,21H,3-4,15-17H2,(H,37,38);1-10,13-14H,11-12,15-17H2;1-2,4-5,7-14,22H,3,6,15-16H2,(H,36,37);1-10,12-13,20H,11,14-16H2;1-10,13-14,29H,11-12,15H2,(H,35,36)/t;;22-;20-;/m..01./s1
• InChIKey: KILFCMJEBPTRQS-HXQIQODWSA-N
• XLogP: 22.75
• TPSA: 549.49 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 43
• Rotatable Bonds: 34
• Heavy Atoms: 188
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2537.56
LogP ≤ 5	22.75
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	43

Frequently Asked Questions

What is the IUPAC name of 3-[4-[(4,4-difluoropiperidin-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-[5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]methylamino]cyclopropane-1-carboxylic acid;1-[[4-[5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]methyl]piperidine-3-carboxylic acid;(2S)-1-[[4-[5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]methyl]pyrrolidine-2-carboxylic acid?

The IUPAC name of 3-[4-[(4,4-difluoropiperidin-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-[5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]methylamino]cyclopropane-1-carboxylic acid;1-[[4-[5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]methyl]piperidine-3-carboxylic acid;(2S)-1-[[4-[5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]methyl]pyrrolidine-2-carboxylic acid (CID 159143945) is 3-[4-[(4,4-difluoropiperidin-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-[5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]methylamino]cyclopropane-1-carboxylic acid;1-[[4-[5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]methyl]piperidine-3-carboxylic acid;(2S)-1-[[4-[5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]methyl]pyrrolidine-2-carboxylic acid.

What is the SMILES notation for 3-[4-[(4,4-difluoropiperidin-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-[5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]methylamino]cyclopropane-1-carboxylic acid;1-[[4-[5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]methyl]piperidine-3-carboxylic acid;(2S)-1-[[4-[5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]methyl]pyrrolidine-2-carboxylic acid?

The canonical SMILES for 3-[4-[(4,4-difluoropiperidin-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-[5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]methylamino]cyclopropane-1-carboxylic acid;1-[[4-[5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]methyl]piperidine-3-carboxylic acid;(2S)-1-[[4-[5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]methyl]pyrrolidine-2-carboxylic acid is Fc1ccccc1-n1nnc(-c2nc(-c3ccc(CN4CCC(F)(F)CC4)cc3)no2)c1-c1ccncc1.Fc1ccccc1-n1nnc(-c2nc(-c3ccc(CN4CC[C@@H](F)C4)cc3)no2)c1-c1ccncc1.O=C(O)C1(NCc2ccc(-c3noc(-c4nnn(-c5ccccc5F)c4-c4ccncc4)n3)cc2)CC1.O=C(O)C1CCCN(Cc2ccc(-c3noc(-c4nnn(-c5ccccc5F)c4-c4ccncc4)n3)cc2)C1.O=C(O)[C@@H]1CCCN1Cc1ccc(-c2noc(-c3nnn(-c4ccccc4F)c3-c3ccncc3)n2)cc1.

What is the InChIKey of 3-[4-[(4,4-difluoropiperidin-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-[5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]methylamino]cyclopropane-1-carboxylic acid;1-[[4-[5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]methyl]piperidine-3-carboxylic acid;(2S)-1-[[4-[5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]methyl]pyrrolidine-2-carboxylic acid?

The InChIKey is KILFCMJEBPTRQS-HXQIQODWSA-N. The full InChI is InChI=1S/C28H24FN7O3.C27H22F3N7O.C27H22FN7O3.C26H21F2N7O.C26H20FN7O3/c29-22-5-1-2-6-23(22)36-25(19-11-13-30-14-12-19)24(32-34-36)27-31-26(33-39-27)20-9-7-18(8-10-20)16-35-15-3-4-21(17-35)28(37)38;28-21-3-1-2-4-22(21)37-24(19-9-13-31-14-10-19)23(33-35-37)26-32-25(34-38-26)20-7-5-18(6-8-20)17-36-15-11-27(29,30)12-16-36;28-20-4-1-2-5-21(20)35-24(18-11-13-29-14-12-18)23(31-33-35)26-30-25(32-38-26)19-9-7-17(8-10-19)16-34-15-3-6-22(34)27(36)37;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;27-19-3-1-2-4-20(19)34-22(17-9-13-28-14-10-17)21(31-33-34)24-30-23(32-37-24)18-7-5-16(6-8-18)15-29-26(11-12-26)25(35)36/h1-2,5-14,21H,3-4,15-17H2,(H,37,38);1-10,13-14H,11-12,15-17H2;1-2,4-5,7-14,22H,3,6,15-16H2,(H,36,37);1-10,12-13,20H,11,14-16H2;1-10,13-14,29H,11-12,15H2,(H,35,36)/t;;22-;20-;/m..01./s1.

What are the key properties of 3-[4-[(4,4-difluoropiperidin-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-[5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]methylamino]cyclopropane-1-carboxylic acid;1-[[4-[5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]methyl]piperidine-3-carboxylic acid;(2S)-1-[[4-[5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]methyl]pyrrolidine-2-carboxylic acid?

3-[4-[(4,4-difluoropiperidin-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-[5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]methylamino]cyclopropane-1-carboxylic acid;1-[[4-[5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]methyl]piperidine-3-carboxylic acid;(2S)-1-[[4-[5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]methyl]pyrrolidine-2-carboxylic acid has a molecular weight of 2537.56 g/mol, XLogP of 22.75, 34 rotatable bonds, 4 hydrogen bond donors, and 43 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[4-[(4,4-difluoropiperidin-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-[5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]methylamino]cyclopropane-1-carboxylic acid;1-[[4-[5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]methyl]piperidine-3-carboxylic acid;(2S)-1-[[4-[5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]methyl]pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 159143945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).