[(1R)-1-(2,5-difluoro-3-pyridinyl)ethyl] 2-[5-[5-[2-(2-chloro-3-fluoro-4-pyridinyl)acetyl]-2-pyridinyl]-3-methyltriazol-4-yl]acetate;[(1R)-1-(2,5-difluoro-3-pyridinyl)ethyl] 2-[5-[5-[2-[4-cyano-3-(trifluoromethyl)phenyl]acetyl]-2-pyridinyl]-3-methyltriazol-4-yl]acetate;[(1R)-1-(2,5-difluoro-3-pyridinyl)ethyl] 2-[3-methyl-5-[5-[2-[(1S,2R)-2-phenylcyclopropyl]acetyl]-2-pyridinyl]triazol-4-yl]acetate;[(1R)-1-(2,5-difluoro-3-pyridinyl)ethyl] 2-[3-methyl-5-[5-[2-(4-phenylphenyl)acetyl]-2-pyridinyl]triazol-4-yl]acetate

C110H87ClF12N22O12 — CID 167547721

About [(1R)-1-(2,5-difluoro-3-pyridinyl)ethyl] 2-[5-[5-[2-(2-chloro-3-fluoro-4-pyridinyl)acetyl]-2-pyridinyl]-3-methyltriazol-4-yl]acetate;[(1R)-1-(2,5-difluoro-3-pyridinyl)ethyl] 2-[5-[5-[2-[4-cyano-3-(trifluoromethyl)phenyl]acetyl]-2-pyridinyl]-3-methyltriazol-4-yl]acetate;[(1R)-1-(2,5-difluoro-3-pyridinyl)ethyl] 2-[3-methyl-5-[5-[2-[(1S,2R)-2-phenylcyclopropyl]acetyl]-2-pyridinyl]triazol-4-yl]acetate;[(1R)-1-(2,5-difluoro-3-pyridinyl)ethyl] 2-[3-methyl-5-[5-[2-(4-phenylphenyl)acetyl]-2-pyridinyl]triazol-4-yl]acetate

[(1R)-1-(2,5-difluoro-3-pyridinyl)ethyl] 2-[5-[5-[2-(2-chloro-3-fluoro-4-pyridinyl)acetyl]-2-pyridinyl]-3-methyltriazol-4-yl]acetate;[(1R)-1-(2,5-difluoro-3-pyridinyl)ethyl] 2-[5-[5-[2-[4-cyano-3-(trifluoromethyl)phenyl]acetyl]-2-pyridinyl]-3-methyltriazol-4-yl]acetate;[(1R)-1-(2,5-difluoro-3-pyridinyl)ethyl] 2-[3-methyl-5-[5-[2-[(1S,2R)-2-phenylcyclopropyl]acetyl]-2-pyridinyl]triazol-4-yl]acetate;[(1R)-1-(2,5-difluoro-3-pyridinyl)ethyl] 2-[3-methyl-5-[5-[2-(4-phenylphenyl)acetyl]-2-pyridinyl]triazol-4-yl]acetate (PubChem CID 167547721) has the molecular formula C110H87ClF12N22O12 and a molecular weight of 2172.48 g/mol. Its IUPAC name is [(1R)-1-(2,5-difluoro-3-pyridinyl)ethyl] 2-[5-[5-[2-(2-chloro-3-fluoro-4-pyridinyl)acetyl]-2-pyridinyl]-3-methyltriazol-4-yl]acetate;[(1R)-1-(2,5-difluoro-3-pyridinyl)ethyl] 2-[5-[5-[2-[4-cyano-3-(trifluoromethyl)phenyl]acetyl]-2-pyridinyl]-3-methyltriazol-4-yl]acetate;[(1R)-1-(2,5-difluoro-3-pyridinyl)ethyl] 2-[3-methyl-5-[5-[2-[(1S,2R)-2-phenylcyclopropyl]acetyl]-2-pyridinyl]triazol-4-yl]acetate;[(1R)-1-(2,5-difluoro-3-pyridinyl)ethyl] 2-[3-methyl-5-[5-[2-(4-phenylphenyl)acetyl]-2-pyridinyl]triazol-4-yl]acetate.

Molecular Properties

• Compound Name: [(1R)-1-(2,5-difluoro-3-pyridinyl)ethyl] 2-[5-[5-[2-(2-chloro-3-fluoro-4-pyridinyl)acetyl]-2-pyridinyl]-3-methyltriazol-4-yl]acetate;[(1R)-1-(2,5-difluoro-3-pyridinyl)ethyl] 2-[5-[5-[2-[4-cyano-3-(trifluoromethyl)phenyl]acetyl]-2-pyridinyl]-3-methyltriazol-4-yl]acetate;[(1R)-1-(2,5-difluoro-3-pyridinyl)ethyl] 2-[3-methyl-5-[5-[2-[(1S,2R)-2-phenylcyclopropyl]acetyl]-2-pyridinyl]triazol-4-yl]acetate;[(1R)-1-(2,5-difluoro-3-pyridinyl)ethyl] 2-[3-methyl-5-[5-[2-(4-phenylphenyl)acetyl]-2-pyridinyl]triazol-4-yl]acetate
• PubChem CID: 167547721
• Molecular Formula: C110H87ClF12N22O12
• Molecular Weight: 2172.48 g/mol
• Exact Mass: 2170.64
• IUPAC Name: [(1R)-1-(2,5-difluoro-3-pyridinyl)ethyl] 2-[5-[5-[2-(2-chloro-3-fluoro-4-pyridinyl)acetyl]-2-pyridinyl]-3-methyltriazol-4-yl]acetate;[(1R)-1-(2,5-difluoro-3-pyridinyl)ethyl] 2-[5-[5-[2-[4-cyano-3-(trifluoromethyl)phenyl]acetyl]-2-pyridinyl]-3-methyltriazol-4-yl]acetate;[(1R)-1-(2,5-difluoro-3-pyridinyl)ethyl] 2-[3-methyl-5-[5-[2-[(1S,2R)-2-phenylcyclopropyl]acetyl]-2-pyridinyl]triazol-4-yl]acetate;[(1R)-1-(2,5-difluoro-3-pyridinyl)ethyl] 2-[3-methyl-5-[5-[2-(4-phenylphenyl)acetyl]-2-pyridinyl]triazol-4-yl]acetate
• SMILES: C[C@@H](OC(=O)Cc1c(-c2ccc(C(=O)C[C@@H]3C[C@H]3c3ccccc3)cn2)nnn1C)c1cc(F)cnc1F.C[C@@H](OC(=O)Cc1c(-c2ccc(C(=O)Cc3ccc(-c4ccccc4)cc3)cn2)nnn1C)c1cc(F)cnc1F.C[C@@H](OC(=O)Cc1c(-c2ccc(C(=O)Cc3ccc(C#N)c(C(F)(F)F)c3)cn2)nnn1C)c1cc(F)cnc1F.C[C@@H](OC(=O)Cc1c(-c2ccc(C(=O)Cc3ccnc(Cl)c3F)cn2)nnn1C)c1cc(F)cnc1F
• InChI: InChI=1S/C31H25F2N5O3.C28H25F2N5O3.C27H19F5N6O3.C24H18ClF3N6O3/c1-19(25-15-24(32)18-35-31(25)33)41-29(40)16-27-30(36-37-38(27)2)26-13-12-23(17-34-26)28(39)14-20-8-10-22(11-9-20)21-6-4-3-5-7-21;1-16(21-12-20(29)15-32-28(21)30)38-26(37)13-24-27(33-34-35(24)2)23-9-8-18(14-31-23)25(36)11-19-10-22(19)17-6-4-3-5-7-17;1-14(19-9-18(28)13-35-26(19)29)41-24(40)10-22-25(36-37-38(22)2)21-6-5-17(12-34-21)23(39)8-15-3-4-16(11-33)20(7-15)27(30,31)32;1-12(16-8-15(26)11-31-24(16)28)37-20(36)9-18-22(32-33-34(18)2)17-4-3-14(10-30-17)19(35)7-13-5-6-29-23(25)21(13)27/h3-13,15,17-19H,14,16H2,1-2H3;3-9,12,14-16,19,22H,10-11,13H2,1-2H3;3-7,9,12-14H,8,10H2,1-2H3;3-6,8,10-12H,7,9H2,1-2H3/t19-;16-,19+,22+;14-;12-/m1111/s1
• InChIKey: BZUHGSUOLZFHIV-GWWMCFCFSA-N
• XLogP: 18.99
• TPSA: 436.12 Ų
• H-Bond Acceptors: 34
• Rotatable Bonds: 34
• Heavy Atoms: 157
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2172.48
LogP ≤ 5	18.99
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	34

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of [(1R)-1-(2,5-difluoro-3-pyridinyl)ethyl] 2-[5-[5-[2-(2-chloro-3-fluoro-4-pyridinyl)acetyl]-2-pyridinyl]-3-methyltriazol-4-yl]acetate;[(1R)-1-(2,5-difluoro-3-pyridinyl)ethyl] 2-[5-[5-[2-[4-cyano-3-(trifluoromethyl)phenyl]acetyl]-2-pyridinyl]-3-methyltriazol-4-yl]acetate;[(1R)-1-(2,5-difluoro-3-pyridinyl)ethyl] 2-[3-methyl-5-[5-[2-[(1S,2R)-2-phenylcyclopropyl]acetyl]-2-pyridinyl]triazol-4-yl]acetate;[(1R)-1-(2,5-difluoro-3-pyridinyl)ethyl] 2-[3-methyl-5-[5-[2-(4-phenylphenyl)acetyl]-2-pyridinyl]triazol-4-yl]acetate?

The IUPAC name of [(1R)-1-(2,5-difluoro-3-pyridinyl)ethyl] 2-[5-[5-[2-(2-chloro-3-fluoro-4-pyridinyl)acetyl]-2-pyridinyl]-3-methyltriazol-4-yl]acetate;[(1R)-1-(2,5-difluoro-3-pyridinyl)ethyl] 2-[5-[5-[2-[4-cyano-3-(trifluoromethyl)phenyl]acetyl]-2-pyridinyl]-3-methyltriazol-4-yl]acetate;[(1R)-1-(2,5-difluoro-3-pyridinyl)ethyl] 2-[3-methyl-5-[5-[2-[(1S,2R)-2-phenylcyclopropyl]acetyl]-2-pyridinyl]triazol-4-yl]acetate;[(1R)-1-(2,5-difluoro-3-pyridinyl)ethyl] 2-[3-methyl-5-[5-[2-(4-phenylphenyl)acetyl]-2-pyridinyl]triazol-4-yl]acetate (CID 167547721) is [(1R)-1-(2,5-difluoro-3-pyridinyl)ethyl] 2-[5-[5-[2-(2-chloro-3-fluoro-4-pyridinyl)acetyl]-2-pyridinyl]-3-methyltriazol-4-yl]acetate;[(1R)-1-(2,5-difluoro-3-pyridinyl)ethyl] 2-[5-[5-[2-[4-cyano-3-(trifluoromethyl)phenyl]acetyl]-2-pyridinyl]-3-methyltriazol-4-yl]acetate;[(1R)-1-(2,5-difluoro-3-pyridinyl)ethyl] 2-[3-methyl-5-[5-[2-[(1S,2R)-2-phenylcyclopropyl]acetyl]-2-pyridinyl]triazol-4-yl]acetate;[(1R)-1-(2,5-difluoro-3-pyridinyl)ethyl] 2-[3-methyl-5-[5-[2-(4-phenylphenyl)acetyl]-2-pyridinyl]triazol-4-yl]acetate.

What is the SMILES notation for [(1R)-1-(2,5-difluoro-3-pyridinyl)ethyl] 2-[5-[5-[2-(2-chloro-3-fluoro-4-pyridinyl)acetyl]-2-pyridinyl]-3-methyltriazol-4-yl]acetate;[(1R)-1-(2,5-difluoro-3-pyridinyl)ethyl] 2-[5-[5-[2-[4-cyano-3-(trifluoromethyl)phenyl]acetyl]-2-pyridinyl]-3-methyltriazol-4-yl]acetate;[(1R)-1-(2,5-difluoro-3-pyridinyl)ethyl] 2-[3-methyl-5-[5-[2-[(1S,2R)-2-phenylcyclopropyl]acetyl]-2-pyridinyl]triazol-4-yl]acetate;[(1R)-1-(2,5-difluoro-3-pyridinyl)ethyl] 2-[3-methyl-5-[5-[2-(4-phenylphenyl)acetyl]-2-pyridinyl]triazol-4-yl]acetate?

The canonical SMILES for [(1R)-1-(2,5-difluoro-3-pyridinyl)ethyl] 2-[5-[5-[2-(2-chloro-3-fluoro-4-pyridinyl)acetyl]-2-pyridinyl]-3-methyltriazol-4-yl]acetate;[(1R)-1-(2,5-difluoro-3-pyridinyl)ethyl] 2-[5-[5-[2-[4-cyano-3-(trifluoromethyl)phenyl]acetyl]-2-pyridinyl]-3-methyltriazol-4-yl]acetate;[(1R)-1-(2,5-difluoro-3-pyridinyl)ethyl] 2-[3-methyl-5-[5-[2-[(1S,2R)-2-phenylcyclopropyl]acetyl]-2-pyridinyl]triazol-4-yl]acetate;[(1R)-1-(2,5-difluoro-3-pyridinyl)ethyl] 2-[3-methyl-5-[5-[2-(4-phenylphenyl)acetyl]-2-pyridinyl]triazol-4-yl]acetate is C[C@@H](OC(=O)Cc1c(-c2ccc(C(=O)C[C@@H]3C[C@H]3c3ccccc3)cn2)nnn1C)c1cc(F)cnc1F.C[C@@H](OC(=O)Cc1c(-c2ccc(C(=O)Cc3ccc(-c4ccccc4)cc3)cn2)nnn1C)c1cc(F)cnc1F.C[C@@H](OC(=O)Cc1c(-c2ccc(C(=O)Cc3ccc(C#N)c(C(F)(F)F)c3)cn2)nnn1C)c1cc(F)cnc1F.C[C@@H](OC(=O)Cc1c(-c2ccc(C(=O)Cc3ccnc(Cl)c3F)cn2)nnn1C)c1cc(F)cnc1F.

What is the InChIKey of [(1R)-1-(2,5-difluoro-3-pyridinyl)ethyl] 2-[5-[5-[2-(2-chloro-3-fluoro-4-pyridinyl)acetyl]-2-pyridinyl]-3-methyltriazol-4-yl]acetate;[(1R)-1-(2,5-difluoro-3-pyridinyl)ethyl] 2-[5-[5-[2-[4-cyano-3-(trifluoromethyl)phenyl]acetyl]-2-pyridinyl]-3-methyltriazol-4-yl]acetate;[(1R)-1-(2,5-difluoro-3-pyridinyl)ethyl] 2-[3-methyl-5-[5-[2-[(1S,2R)-2-phenylcyclopropyl]acetyl]-2-pyridinyl]triazol-4-yl]acetate;[(1R)-1-(2,5-difluoro-3-pyridinyl)ethyl] 2-[3-methyl-5-[5-[2-(4-phenylphenyl)acetyl]-2-pyridinyl]triazol-4-yl]acetate?

The InChIKey is BZUHGSUOLZFHIV-GWWMCFCFSA-N. The full InChI is InChI=1S/C31H25F2N5O3.C28H25F2N5O3.C27H19F5N6O3.C24H18ClF3N6O3/c1-19(25-15-24(32)18-35-31(25)33)41-29(40)16-27-30(36-37-38(27)2)26-13-12-23(17-34-26)28(39)14-20-8-10-22(11-9-20)21-6-4-3-5-7-21;1-16(21-12-20(29)15-32-28(21)30)38-26(37)13-24-27(33-34-35(24)2)23-9-8-18(14-31-23)25(36)11-19-10-22(19)17-6-4-3-5-7-17;1-14(19-9-18(28)13-35-26(19)29)41-24(40)10-22-25(36-37-38(22)2)21-6-5-17(12-34-21)23(39)8-15-3-4-16(11-33)20(7-15)27(30,31)32;1-12(16-8-15(26)11-31-24(16)28)37-20(36)9-18-22(32-33-34(18)2)17-4-3-14(10-30-17)19(35)7-13-5-6-29-23(25)21(13)27/h3-13,15,17-19H,14,16H2,1-2H3;3-9,12,14-16,19,22H,10-11,13H2,1-2H3;3-7,9,12-14H,8,10H2,1-2H3;3-6,8,10-12H,7,9H2,1-2H3/t19-;16-,19+,22+;14-;12-/m1111/s1.

What are the key properties of [(1R)-1-(2,5-difluoro-3-pyridinyl)ethyl] 2-[5-[5-[2-(2-chloro-3-fluoro-4-pyridinyl)acetyl]-2-pyridinyl]-3-methyltriazol-4-yl]acetate;[(1R)-1-(2,5-difluoro-3-pyridinyl)ethyl] 2-[5-[5-[2-[4-cyano-3-(trifluoromethyl)phenyl]acetyl]-2-pyridinyl]-3-methyltriazol-4-yl]acetate;[(1R)-1-(2,5-difluoro-3-pyridinyl)ethyl] 2-[3-methyl-5-[5-[2-[(1S,2R)-2-phenylcyclopropyl]acetyl]-2-pyridinyl]triazol-4-yl]acetate;[(1R)-1-(2,5-difluoro-3-pyridinyl)ethyl] 2-[3-methyl-5-[5-[2-(4-phenylphenyl)acetyl]-2-pyridinyl]triazol-4-yl]acetate?

[(1R)-1-(2,5-difluoro-3-pyridinyl)ethyl] 2-[5-[5-[2-(2-chloro-3-fluoro-4-pyridinyl)acetyl]-2-pyridinyl]-3-methyltriazol-4-yl]acetate;[(1R)-1-(2,5-difluoro-3-pyridinyl)ethyl] 2-[5-[5-[2-[4-cyano-3-(trifluoromethyl)phenyl]acetyl]-2-pyridinyl]-3-methyltriazol-4-yl]acetate;[(1R)-1-(2,5-difluoro-3-pyridinyl)ethyl] 2-[3-methyl-5-[5-[2-[(1S,2R)-2-phenylcyclopropyl]acetyl]-2-pyridinyl]triazol-4-yl]acetate;[(1R)-1-(2,5-difluoro-3-pyridinyl)ethyl] 2-[3-methyl-5-[5-[2-(4-phenylphenyl)acetyl]-2-pyridinyl]triazol-4-yl]acetate has a molecular weight of 2172.48 g/mol, XLogP of 18.99, 34 rotatable bonds, 0 hydrogen bond donors, and 34 hydrogen bond acceptors.

Where does this data come from?

All data for [(1R)-1-(2,5-difluoro-3-pyridinyl)ethyl] 2-[5-[5-[2-(2-chloro-3-fluoro-4-pyridinyl)acetyl]-2-pyridinyl]-3-methyltriazol-4-yl]acetate;[(1R)-1-(2,5-difluoro-3-pyridinyl)ethyl] 2-[5-[5-[2-[4-cyano-3-(trifluoromethyl)phenyl]acetyl]-2-pyridinyl]-3-methyltriazol-4-yl]acetate;[(1R)-1-(2,5-difluoro-3-pyridinyl)ethyl] 2-[3-methyl-5-[5-[2-[(1S,2R)-2-phenylcyclopropyl]acetyl]-2-pyridinyl]triazol-4-yl]acetate;[(1R)-1-(2,5-difluoro-3-pyridinyl)ethyl] 2-[3-methyl-5-[5-[2-(4-phenylphenyl)acetyl]-2-pyridinyl]triazol-4-yl]acetate is sourced from PubChem (CID 167547721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).