[(1R)-1-(2-chloro-5-fluoro-3-pyridinyl)ethyl] 2-[3-methyl-5-[5-[2-[2-(trifluoromethyl)-4-pyridinyl]acetyl]-2-pyridinyl]triazol-4-yl]acetate;[(1R)-1-(2,5-difluoro-3-pyridinyl)ethyl] 2-[5-[5-[2-[2-chloro-6-(trifluoromethyl)-4-pyridinyl]acetyl]-2-pyridinyl]-3-methyltriazol-4-yl]acetate;[(1R)-1-(2,5-difluoro-3-pyridinyl)ethyl] 2-[3-methyl-5-[5-[2-(3-phenylcyclobutyl)acetyl]-2-pyridinyl]triazol-4-yl]acetate;[(1R)-1-(2-fluoro-5-methyl-3-pyridinyl)ethyl] N-[3-methyl-5-[5-[[2-(trifluoromethyl)-1,3-thiazol-5-yl]carbamoyl]-2-pyridinyl]triazol-4-yl]carbamate

C101H82Cl2F15N25O12S — CID 167573548

About [(1R)-1-(2-chloro-5-fluoro-3-pyridinyl)ethyl] 2-[3-methyl-5-[5-[2-[2-(trifluoromethyl)-4-pyridinyl]acetyl]-2-pyridinyl]triazol-4-yl]acetate;[(1R)-1-(2,5-difluoro-3-pyridinyl)ethyl] 2-[5-[5-[2-[2-chloro-6-(trifluoromethyl)-4-pyridinyl]acetyl]-2-pyridinyl]-3-methyltriazol-4-yl]acetate;[(1R)-1-(2,5-difluoro-3-pyridinyl)ethyl] 2-[3-methyl-5-[5-[2-(3-phenylcyclobutyl)acetyl]-2-pyridinyl]triazol-4-yl]acetate;[(1R)-1-(2-fluoro-5-methyl-3-pyridinyl)ethyl] N-[3-methyl-5-[5-[[2-(trifluoromethyl)-1,3-thiazol-5-yl]carbamoyl]-2-pyridinyl]triazol-4-yl]carbamate

[(1R)-1-(2-chloro-5-fluoro-3-pyridinyl)ethyl] 2-[3-methyl-5-[5-[2-[2-(trifluoromethyl)-4-pyridinyl]acetyl]-2-pyridinyl]triazol-4-yl]acetate;[(1R)-1-(2,5-difluoro-3-pyridinyl)ethyl] 2-[5-[5-[2-[2-chloro-6-(trifluoromethyl)-4-pyridinyl]acetyl]-2-pyridinyl]-3-methyltriazol-4-yl]acetate;[(1R)-1-(2,5-difluoro-3-pyridinyl)ethyl] 2-[3-methyl-5-[5-[2-(3-phenylcyclobutyl)acetyl]-2-pyridinyl]triazol-4-yl]acetate;[(1R)-1-(2-fluoro-5-methyl-3-pyridinyl)ethyl] N-[3-methyl-5-[5-[[2-(trifluoromethyl)-1,3-thiazol-5-yl]carbamoyl]-2-pyridinyl]triazol-4-yl]carbamate (PubChem CID 167573548) has the molecular formula C101H82Cl2F15N25O12S and a molecular weight of 2225.87 g/mol. Its IUPAC name is [(1R)-1-(2-chloro-5-fluoro-3-pyridinyl)ethyl] 2-[3-methyl-5-[5-[2-[2-(trifluoromethyl)-4-pyridinyl]acetyl]-2-pyridinyl]triazol-4-yl]acetate;[(1R)-1-(2,5-difluoro-3-pyridinyl)ethyl] 2-[5-[5-[2-[2-chloro-6-(trifluoromethyl)-4-pyridinyl]acetyl]-2-pyridinyl]-3-methyltriazol-4-yl]acetate;[(1R)-1-(2,5-difluoro-3-pyridinyl)ethyl] 2-[3-methyl-5-[5-[2-(3-phenylcyclobutyl)acetyl]-2-pyridinyl]triazol-4-yl]acetate;[(1R)-1-(2-fluoro-5-methyl-3-pyridinyl)ethyl] N-[3-methyl-5-[5-[[2-(trifluoromethyl)-1,3-thiazol-5-yl]carbamoyl]-2-pyridinyl]triazol-4-yl]carbamate.

Molecular Properties

• Compound Name: [(1R)-1-(2-chloro-5-fluoro-3-pyridinyl)ethyl] 2-[3-methyl-5-[5-[2-[2-(trifluoromethyl)-4-pyridinyl]acetyl]-2-pyridinyl]triazol-4-yl]acetate;[(1R)-1-(2,5-difluoro-3-pyridinyl)ethyl] 2-[5-[5-[2-[2-chloro-6-(trifluoromethyl)-4-pyridinyl]acetyl]-2-pyridinyl]-3-methyltriazol-4-yl]acetate;[(1R)-1-(2,5-difluoro-3-pyridinyl)ethyl] 2-[3-methyl-5-[5-[2-(3-phenylcyclobutyl)acetyl]-2-pyridinyl]triazol-4-yl]acetate;[(1R)-1-(2-fluoro-5-methyl-3-pyridinyl)ethyl] N-[3-methyl-5-[5-[[2-(trifluoromethyl)-1,3-thiazol-5-yl]carbamoyl]-2-pyridinyl]triazol-4-yl]carbamate
• PubChem CID: 167573548
• Molecular Formula: C101H82Cl2F15N25O12S
• Molecular Weight: 2225.87 g/mol
• Exact Mass: 2223.54
• IUPAC Name: [(1R)-1-(2-chloro-5-fluoro-3-pyridinyl)ethyl] 2-[3-methyl-5-[5-[2-[2-(trifluoromethyl)-4-pyridinyl]acetyl]-2-pyridinyl]triazol-4-yl]acetate;[(1R)-1-(2,5-difluoro-3-pyridinyl)ethyl] 2-[5-[5-[2-[2-chloro-6-(trifluoromethyl)-4-pyridinyl]acetyl]-2-pyridinyl]-3-methyltriazol-4-yl]acetate;[(1R)-1-(2,5-difluoro-3-pyridinyl)ethyl] 2-[3-methyl-5-[5-[2-(3-phenylcyclobutyl)acetyl]-2-pyridinyl]triazol-4-yl]acetate;[(1R)-1-(2-fluoro-5-methyl-3-pyridinyl)ethyl] N-[3-methyl-5-[5-[[2-(trifluoromethyl)-1,3-thiazol-5-yl]carbamoyl]-2-pyridinyl]triazol-4-yl]carbamate
• SMILES: C[C@@H](OC(=O)Cc1c(-c2ccc(C(=O)CC3CC(c4ccccc4)C3)cn2)nnn1C)c1cc(F)cnc1F.C[C@@H](OC(=O)Cc1c(-c2ccc(C(=O)Cc3cc(Cl)nc(C(F)(F)F)c3)cn2)nnn1C)c1cc(F)cnc1F.C[C@@H](OC(=O)Cc1c(-c2ccc(C(=O)Cc3ccnc(C(F)(F)F)c3)cn2)nnn1C)c1cc(F)cnc1Cl.Cc1cnc(F)c([C@@H](C)OC(=O)Nc2c(-c3ccc(C(=O)Nc4cnc(C(F)(F)F)s4)cn3)nnn2C)c1
• InChI: InChI=1S/C29H27F2N5O3.C25H18ClF5N6O3.C25H19ClF4N6O3.C22H18F4N8O3S/c1-17(23-13-22(30)16-33-29(23)31)39-27(38)14-25-28(34-35-36(25)2)24-9-8-20(15-32-24)26(37)12-18-10-21(11-18)19-6-4-3-5-7-19;1-12(16-8-15(27)11-33-24(16)28)40-22(39)9-18-23(35-36-37(18)2)17-4-3-14(10-32-17)19(38)5-13-6-20(25(29,30)31)34-21(26)7-13;1-13(17-9-16(27)12-33-24(17)26)39-22(38)10-19-23(34-35-36(19)2)18-4-3-15(11-32-18)20(37)7-14-5-6-31-21(8-14)25(28,29)30;1-10-6-13(17(23)28-7-10)11(2)37-21(36)31-18-16(32-33-34(18)3)14-5-4-12(8-27-14)19(35)30-15-9-29-20(38-15)22(24,25)26/h3-9,13,15-18,21H,10-12,14H2,1-2H3;3-4,6-8,10-12H,5,9H2,1-2H3;3-6,8-9,11-13H,7,10H2,1-2H3;4-9,11H,1-3H3,(H,30,35)(H,31,36)/t17-,18?,21?;12-;13-;11-/m1111/s1
• InChIKey: GFNDSAUZMYCNHJ-LGAPKNJCSA-N
• XLogP: 19.56
• TPSA: 462.17 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 36
• Rotatable Bonds: 31
• Heavy Atoms: 156
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2225.87
LogP ≤ 5	19.56
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	36

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-chloro-5-fluoro-3-pyridinyl)ethyl] 2-[3-methyl-5-[5-[2-[2-(trifluoromethyl)-4-pyridinyl]acetyl]-2-pyridinyl]triazol-4-yl]acetate;[(1R)-1-(2,5-difluoro-3-pyridinyl)ethyl] 2-[5-[5-[2-[2-chloro-6-(trifluoromethyl)-4-pyridinyl]acetyl]-2-pyridinyl]-3-methyltriazol-4-yl]acetate;[(1R)-1-(2,5-difluoro-3-pyridinyl)ethyl] 2-[3-methyl-5-[5-[2-(3-phenylcyclobutyl)acetyl]-2-pyridinyl]triazol-4-yl]acetate;[(1R)-1-(2-fluoro-5-methyl-3-pyridinyl)ethyl] N-[3-methyl-5-[5-[[2-(trifluoromethyl)-1,3-thiazol-5-yl]carbamoyl]-2-pyridinyl]triazol-4-yl]carbamate?

The IUPAC name of [(1R)-1-(2-chloro-5-fluoro-3-pyridinyl)ethyl] 2-[3-methyl-5-[5-[2-[2-(trifluoromethyl)-4-pyridinyl]acetyl]-2-pyridinyl]triazol-4-yl]acetate;[(1R)-1-(2,5-difluoro-3-pyridinyl)ethyl] 2-[5-[5-[2-[2-chloro-6-(trifluoromethyl)-4-pyridinyl]acetyl]-2-pyridinyl]-3-methyltriazol-4-yl]acetate;[(1R)-1-(2,5-difluoro-3-pyridinyl)ethyl] 2-[3-methyl-5-[5-[2-(3-phenylcyclobutyl)acetyl]-2-pyridinyl]triazol-4-yl]acetate;[(1R)-1-(2-fluoro-5-methyl-3-pyridinyl)ethyl] N-[3-methyl-5-[5-[[2-(trifluoromethyl)-1,3-thiazol-5-yl]carbamoyl]-2-pyridinyl]triazol-4-yl]carbamate (CID 167573548) is [(1R)-1-(2-chloro-5-fluoro-3-pyridinyl)ethyl] 2-[3-methyl-5-[5-[2-[2-(trifluoromethyl)-4-pyridinyl]acetyl]-2-pyridinyl]triazol-4-yl]acetate;[(1R)-1-(2,5-difluoro-3-pyridinyl)ethyl] 2-[5-[5-[2-[2-chloro-6-(trifluoromethyl)-4-pyridinyl]acetyl]-2-pyridinyl]-3-methyltriazol-4-yl]acetate;[(1R)-1-(2,5-difluoro-3-pyridinyl)ethyl] 2-[3-methyl-5-[5-[2-(3-phenylcyclobutyl)acetyl]-2-pyridinyl]triazol-4-yl]acetate;[(1R)-1-(2-fluoro-5-methyl-3-pyridinyl)ethyl] N-[3-methyl-5-[5-[[2-(trifluoromethyl)-1,3-thiazol-5-yl]carbamoyl]-2-pyridinyl]triazol-4-yl]carbamate.

What is the SMILES notation for [(1R)-1-(2-chloro-5-fluoro-3-pyridinyl)ethyl] 2-[3-methyl-5-[5-[2-[2-(trifluoromethyl)-4-pyridinyl]acetyl]-2-pyridinyl]triazol-4-yl]acetate;[(1R)-1-(2,5-difluoro-3-pyridinyl)ethyl] 2-[5-[5-[2-[2-chloro-6-(trifluoromethyl)-4-pyridinyl]acetyl]-2-pyridinyl]-3-methyltriazol-4-yl]acetate;[(1R)-1-(2,5-difluoro-3-pyridinyl)ethyl] 2-[3-methyl-5-[5-[2-(3-phenylcyclobutyl)acetyl]-2-pyridinyl]triazol-4-yl]acetate;[(1R)-1-(2-fluoro-5-methyl-3-pyridinyl)ethyl] N-[3-methyl-5-[5-[[2-(trifluoromethyl)-1,3-thiazol-5-yl]carbamoyl]-2-pyridinyl]triazol-4-yl]carbamate?

The canonical SMILES for [(1R)-1-(2-chloro-5-fluoro-3-pyridinyl)ethyl] 2-[3-methyl-5-[5-[2-[2-(trifluoromethyl)-4-pyridinyl]acetyl]-2-pyridinyl]triazol-4-yl]acetate;[(1R)-1-(2,5-difluoro-3-pyridinyl)ethyl] 2-[5-[5-[2-[2-chloro-6-(trifluoromethyl)-4-pyridinyl]acetyl]-2-pyridinyl]-3-methyltriazol-4-yl]acetate;[(1R)-1-(2,5-difluoro-3-pyridinyl)ethyl] 2-[3-methyl-5-[5-[2-(3-phenylcyclobutyl)acetyl]-2-pyridinyl]triazol-4-yl]acetate;[(1R)-1-(2-fluoro-5-methyl-3-pyridinyl)ethyl] N-[3-methyl-5-[5-[[2-(trifluoromethyl)-1,3-thiazol-5-yl]carbamoyl]-2-pyridinyl]triazol-4-yl]carbamate is C[C@@H](OC(=O)Cc1c(-c2ccc(C(=O)CC3CC(c4ccccc4)C3)cn2)nnn1C)c1cc(F)cnc1F.C[C@@H](OC(=O)Cc1c(-c2ccc(C(=O)Cc3cc(Cl)nc(C(F)(F)F)c3)cn2)nnn1C)c1cc(F)cnc1F.C[C@@H](OC(=O)Cc1c(-c2ccc(C(=O)Cc3ccnc(C(F)(F)F)c3)cn2)nnn1C)c1cc(F)cnc1Cl.Cc1cnc(F)c([C@@H](C)OC(=O)Nc2c(-c3ccc(C(=O)Nc4cnc(C(F)(F)F)s4)cn3)nnn2C)c1.

What is the InChIKey of [(1R)-1-(2-chloro-5-fluoro-3-pyridinyl)ethyl] 2-[3-methyl-5-[5-[2-[2-(trifluoromethyl)-4-pyridinyl]acetyl]-2-pyridinyl]triazol-4-yl]acetate;[(1R)-1-(2,5-difluoro-3-pyridinyl)ethyl] 2-[5-[5-[2-[2-chloro-6-(trifluoromethyl)-4-pyridinyl]acetyl]-2-pyridinyl]-3-methyltriazol-4-yl]acetate;[(1R)-1-(2,5-difluoro-3-pyridinyl)ethyl] 2-[3-methyl-5-[5-[2-(3-phenylcyclobutyl)acetyl]-2-pyridinyl]triazol-4-yl]acetate;[(1R)-1-(2-fluoro-5-methyl-3-pyridinyl)ethyl] N-[3-methyl-5-[5-[[2-(trifluoromethyl)-1,3-thiazol-5-yl]carbamoyl]-2-pyridinyl]triazol-4-yl]carbamate?

The InChIKey is GFNDSAUZMYCNHJ-LGAPKNJCSA-N. The full InChI is InChI=1S/C29H27F2N5O3.C25H18ClF5N6O3.C25H19ClF4N6O3.C22H18F4N8O3S/c1-17(23-13-22(30)16-33-29(23)31)39-27(38)14-25-28(34-35-36(25)2)24-9-8-20(15-32-24)26(37)12-18-10-21(11-18)19-6-4-3-5-7-19;1-12(16-8-15(27)11-33-24(16)28)40-22(39)9-18-23(35-36-37(18)2)17-4-3-14(10-32-17)19(38)5-13-6-20(25(29,30)31)34-21(26)7-13;1-13(17-9-16(27)12-33-24(17)26)39-22(38)10-19-23(34-35-36(19)2)18-4-3-15(11-32-18)20(37)7-14-5-6-31-21(8-14)25(28,29)30;1-10-6-13(17(23)28-7-10)11(2)37-21(36)31-18-16(32-33-34(18)3)14-5-4-12(8-27-14)19(35)30-15-9-29-20(38-15)22(24,25)26/h3-9,13,15-18,21H,10-12,14H2,1-2H3;3-4,6-8,10-12H,5,9H2,1-2H3;3-6,8-9,11-13H,7,10H2,1-2H3;4-9,11H,1-3H3,(H,30,35)(H,31,36)/t17-,18?,21?;12-;13-;11-/m1111/s1.

What are the key properties of [(1R)-1-(2-chloro-5-fluoro-3-pyridinyl)ethyl] 2-[3-methyl-5-[5-[2-[2-(trifluoromethyl)-4-pyridinyl]acetyl]-2-pyridinyl]triazol-4-yl]acetate;[(1R)-1-(2,5-difluoro-3-pyridinyl)ethyl] 2-[5-[5-[2-[2-chloro-6-(trifluoromethyl)-4-pyridinyl]acetyl]-2-pyridinyl]-3-methyltriazol-4-yl]acetate;[(1R)-1-(2,5-difluoro-3-pyridinyl)ethyl] 2-[3-methyl-5-[5-[2-(3-phenylcyclobutyl)acetyl]-2-pyridinyl]triazol-4-yl]acetate;[(1R)-1-(2-fluoro-5-methyl-3-pyridinyl)ethyl] N-[3-methyl-5-[5-[[2-(trifluoromethyl)-1,3-thiazol-5-yl]carbamoyl]-2-pyridinyl]triazol-4-yl]carbamate?

[(1R)-1-(2-chloro-5-fluoro-3-pyridinyl)ethyl] 2-[3-methyl-5-[5-[2-[2-(trifluoromethyl)-4-pyridinyl]acetyl]-2-pyridinyl]triazol-4-yl]acetate;[(1R)-1-(2,5-difluoro-3-pyridinyl)ethyl] 2-[5-[5-[2-[2-chloro-6-(trifluoromethyl)-4-pyridinyl]acetyl]-2-pyridinyl]-3-methyltriazol-4-yl]acetate;[(1R)-1-(2,5-difluoro-3-pyridinyl)ethyl] 2-[3-methyl-5-[5-[2-(3-phenylcyclobutyl)acetyl]-2-pyridinyl]triazol-4-yl]acetate;[(1R)-1-(2-fluoro-5-methyl-3-pyridinyl)ethyl] N-[3-methyl-5-[5-[[2-(trifluoromethyl)-1,3-thiazol-5-yl]carbamoyl]-2-pyridinyl]triazol-4-yl]carbamate has a molecular weight of 2225.87 g/mol, XLogP of 19.56, 31 rotatable bonds, 2 hydrogen bond donors, and 36 hydrogen bond acceptors.

Where does this data come from?

All data for [(1R)-1-(2-chloro-5-fluoro-3-pyridinyl)ethyl] 2-[3-methyl-5-[5-[2-[2-(trifluoromethyl)-4-pyridinyl]acetyl]-2-pyridinyl]triazol-4-yl]acetate;[(1R)-1-(2,5-difluoro-3-pyridinyl)ethyl] 2-[5-[5-[2-[2-chloro-6-(trifluoromethyl)-4-pyridinyl]acetyl]-2-pyridinyl]-3-methyltriazol-4-yl]acetate;[(1R)-1-(2,5-difluoro-3-pyridinyl)ethyl] 2-[3-methyl-5-[5-[2-(3-phenylcyclobutyl)acetyl]-2-pyridinyl]triazol-4-yl]acetate;[(1R)-1-(2-fluoro-5-methyl-3-pyridinyl)ethyl] N-[3-methyl-5-[5-[[2-(trifluoromethyl)-1,3-thiazol-5-yl]carbamoyl]-2-pyridinyl]triazol-4-yl]carbamate is sourced from PubChem (CID 167573548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).