[(1R)-1-(2,5-difluoro-3-pyridinyl)ethyl] 2-[5-[5-[2-[2-(difluoromethoxy)-4-pyridinyl]acetyl]-2-pyridinyl]-3-methyltriazol-4-yl]acetate;[(1R)-1-(2,5-difluoro-3-pyridinyl)ethyl] 2-[5-[5-[2-[2-(difluoromethyl)-4-pyridinyl]acetyl]-2-pyridinyl]-3-methyltriazol-4-yl]acetate;[(1R)-1-(2,5-difluoro-3-pyridinyl)ethyl] 2-[5-[5-[2-(2-methoxy-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-(trifluoromethyl)phenyl]acetyl]-2-pyridinyl]triazol-4-yl]acetate

C101H82F15N23O14 — CID 167664458

About [(1R)-1-(2,5-difluoro-3-pyridinyl)ethyl] 2-[5-[5-[2-[2-(difluoromethoxy)-4-pyridinyl]acetyl]-2-pyridinyl]-3-methyltriazol-4-yl]acetate;[(1R)-1-(2,5-difluoro-3-pyridinyl)ethyl] 2-[5-[5-[2-[2-(difluoromethyl)-4-pyridinyl]acetyl]-2-pyridinyl]-3-methyltriazol-4-yl]acetate;[(1R)-1-(2,5-difluoro-3-pyridinyl)ethyl] 2-[5-[5-[2-(2-methoxy-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-(trifluoromethyl)phenyl]acetyl]-2-pyridinyl]triazol-4-yl]acetate

[(1R)-1-(2,5-difluoro-3-pyridinyl)ethyl] 2-[5-[5-[2-[2-(difluoromethoxy)-4-pyridinyl]acetyl]-2-pyridinyl]-3-methyltriazol-4-yl]acetate;[(1R)-1-(2,5-difluoro-3-pyridinyl)ethyl] 2-[5-[5-[2-[2-(difluoromethyl)-4-pyridinyl]acetyl]-2-pyridinyl]-3-methyltriazol-4-yl]acetate;[(1R)-1-(2,5-difluoro-3-pyridinyl)ethyl] 2-[5-[5-[2-(2-methoxy-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-(trifluoromethyl)phenyl]acetyl]-2-pyridinyl]triazol-4-yl]acetate (PubChem CID 167664458) has the molecular formula C101H82F15N23O14 and a molecular weight of 2126.88 g/mol. Its IUPAC name is [(1R)-1-(2,5-difluoro-3-pyridinyl)ethyl] 2-[5-[5-[2-[2-(difluoromethoxy)-4-pyridinyl]acetyl]-2-pyridinyl]-3-methyltriazol-4-yl]acetate;[(1R)-1-(2,5-difluoro-3-pyridinyl)ethyl] 2-[5-[5-[2-[2-(difluoromethyl)-4-pyridinyl]acetyl]-2-pyridinyl]-3-methyltriazol-4-yl]acetate;[(1R)-1-(2,5-difluoro-3-pyridinyl)ethyl] 2-[5-[5-[2-(2-methoxy-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-(trifluoromethyl)phenyl]acetyl]-2-pyridinyl]triazol-4-yl]acetate.

Molecular Properties

• Compound Name: [(1R)-1-(2,5-difluoro-3-pyridinyl)ethyl] 2-[5-[5-[2-[2-(difluoromethoxy)-4-pyridinyl]acetyl]-2-pyridinyl]-3-methyltriazol-4-yl]acetate;[(1R)-1-(2,5-difluoro-3-pyridinyl)ethyl] 2-[5-[5-[2-[2-(difluoromethyl)-4-pyridinyl]acetyl]-2-pyridinyl]-3-methyltriazol-4-yl]acetate;[(1R)-1-(2,5-difluoro-3-pyridinyl)ethyl] 2-[5-[5-[2-(2-methoxy-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-(trifluoromethyl)phenyl]acetyl]-2-pyridinyl]triazol-4-yl]acetate
• PubChem CID: 167664458
• Molecular Formula: C101H82F15N23O14
• Molecular Weight: 2126.88 g/mol
• Exact Mass: 2125.62
• IUPAC Name: [(1R)-1-(2,5-difluoro-3-pyridinyl)ethyl] 2-[5-[5-[2-[2-(difluoromethoxy)-4-pyridinyl]acetyl]-2-pyridinyl]-3-methyltriazol-4-yl]acetate;[(1R)-1-(2,5-difluoro-3-pyridinyl)ethyl] 2-[5-[5-[2-[2-(difluoromethyl)-4-pyridinyl]acetyl]-2-pyridinyl]-3-methyltriazol-4-yl]acetate;[(1R)-1-(2,5-difluoro-3-pyridinyl)ethyl] 2-[5-[5-[2-(2-methoxy-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-(trifluoromethyl)phenyl]acetyl]-2-pyridinyl]triazol-4-yl]acetate
• SMILES: COc1cc(CC(=O)c2ccc(-c3nnn(C)c3CC(=O)O[C@H](C)c3cc(F)cnc3F)nc2)ccn1.C[C@@H](OC(=O)Cc1c(-c2ccc(C(=O)Cc3cccc(C(F)(F)F)c3)cn2)nnn1C)c1cc(F)cnc1F.C[C@@H](OC(=O)Cc1c(-c2ccc(C(=O)Cc3ccnc(C(F)F)c3)cn2)nnn1C)c1cc(F)cnc1F.C[C@@H](OC(=O)Cc1c(-c2ccc(C(=O)Cc3ccnc(OC(F)F)c3)cn2)nnn1C)c1cc(F)cnc1F
• InChI: InChI=1S/C26H20F5N5O3.C25H20F4N6O4.C25H20F4N6O3.C25H22F2N6O4/c1-14(19-10-18(27)13-33-25(19)28)39-23(38)11-21-24(34-35-36(21)2)20-7-6-16(12-32-20)22(37)9-15-4-3-5-17(8-15)26(29,30)31;1-13(17-9-16(26)12-32-24(17)27)38-22(37)10-19-23(33-34-35(19)2)18-4-3-15(11-31-18)20(36)7-14-5-6-30-21(8-14)39-25(28)29;1-13(17-9-16(26)12-32-25(17)29)38-22(37)10-20-23(33-34-35(20)2)18-4-3-15(11-31-18)21(36)8-14-5-6-30-19(7-14)24(27)28;1-14(18-10-17(26)13-30-25(18)27)37-23(35)11-20-24(31-32-33(20)2)19-5-4-16(12-29-19)21(34)8-15-6-7-28-22(9-15)36-3/h3-8,10,12-14H,9,11H2,1-2H3;3-6,8-9,11-13,25H,7,10H2,1-2H3;3-7,9,11-13,24H,8,10H2,1-2H3;4-7,9-10,12-14H,8,11H2,1-3H3/t14-;2*13-;14-/m1111/s1
• InChIKey: SKPYQPQCFSCZEE-WJCVKRSGSA-N
• XLogP: 16.04
• TPSA: 456.57 Ų
• H-Bond Acceptors: 37
• Rotatable Bonds: 36
• Heavy Atoms: 153
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2126.88
LogP ≤ 5	16.04
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	37

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-(difluoromethoxy)-4-pyridinyl]acetyl]-2-pyridinyl]-3-methyltriazol-4-yl]acetate;[(1R)-1-(2,5-difluoro-3-pyridinyl)ethyl] 2-[5-[5-[2-[2-(difluoromethyl)-4-pyridinyl]acetyl]-2-pyridinyl]-3-methyltriazol-4-yl]acetate;[(1R)-1-(2,5-difluoro-3-pyridinyl)ethyl] 2-[5-[5-[2-(2-methoxy-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-(trifluoromethyl)phenyl]acetyl]-2-pyridinyl]triazol-4-yl]acetate?

The IUPAC name of [(1R)-1-(2,5-difluoro-3-pyridinyl)ethyl] 2-[5-[5-[2-[2-(difluoromethoxy)-4-pyridinyl]acetyl]-2-pyridinyl]-3-methyltriazol-4-yl]acetate;[(1R)-1-(2,5-difluoro-3-pyridinyl)ethyl] 2-[5-[5-[2-[2-(difluoromethyl)-4-pyridinyl]acetyl]-2-pyridinyl]-3-methyltriazol-4-yl]acetate;[(1R)-1-(2,5-difluoro-3-pyridinyl)ethyl] 2-[5-[5-[2-(2-methoxy-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-(trifluoromethyl)phenyl]acetyl]-2-pyridinyl]triazol-4-yl]acetate (CID 167664458) is [(1R)-1-(2,5-difluoro-3-pyridinyl)ethyl] 2-[5-[5-[2-[2-(difluoromethoxy)-4-pyridinyl]acetyl]-2-pyridinyl]-3-methyltriazol-4-yl]acetate;[(1R)-1-(2,5-difluoro-3-pyridinyl)ethyl] 2-[5-[5-[2-[2-(difluoromethyl)-4-pyridinyl]acetyl]-2-pyridinyl]-3-methyltriazol-4-yl]acetate;[(1R)-1-(2,5-difluoro-3-pyridinyl)ethyl] 2-[5-[5-[2-(2-methoxy-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-(trifluoromethyl)phenyl]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-(difluoromethoxy)-4-pyridinyl]acetyl]-2-pyridinyl]-3-methyltriazol-4-yl]acetate;[(1R)-1-(2,5-difluoro-3-pyridinyl)ethyl] 2-[5-[5-[2-[2-(difluoromethyl)-4-pyridinyl]acetyl]-2-pyridinyl]-3-methyltriazol-4-yl]acetate;[(1R)-1-(2,5-difluoro-3-pyridinyl)ethyl] 2-[5-[5-[2-(2-methoxy-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-(trifluoromethyl)phenyl]acetyl]-2-pyridinyl]triazol-4-yl]acetate?

The canonical SMILES for [(1R)-1-(2,5-difluoro-3-pyridinyl)ethyl] 2-[5-[5-[2-[2-(difluoromethoxy)-4-pyridinyl]acetyl]-2-pyridinyl]-3-methyltriazol-4-yl]acetate;[(1R)-1-(2,5-difluoro-3-pyridinyl)ethyl] 2-[5-[5-[2-[2-(difluoromethyl)-4-pyridinyl]acetyl]-2-pyridinyl]-3-methyltriazol-4-yl]acetate;[(1R)-1-(2,5-difluoro-3-pyridinyl)ethyl] 2-[5-[5-[2-(2-methoxy-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-(trifluoromethyl)phenyl]acetyl]-2-pyridinyl]triazol-4-yl]acetate is COc1cc(CC(=O)c2ccc(-c3nnn(C)c3CC(=O)O[C@H](C)c3cc(F)cnc3F)nc2)ccn1.C[C@@H](OC(=O)Cc1c(-c2ccc(C(=O)Cc3cccc(C(F)(F)F)c3)cn2)nnn1C)c1cc(F)cnc1F.C[C@@H](OC(=O)Cc1c(-c2ccc(C(=O)Cc3ccnc(C(F)F)c3)cn2)nnn1C)c1cc(F)cnc1F.C[C@@H](OC(=O)Cc1c(-c2ccc(C(=O)Cc3ccnc(OC(F)F)c3)cn2)nnn1C)c1cc(F)cnc1F.

What is the InChIKey of [(1R)-1-(2,5-difluoro-3-pyridinyl)ethyl] 2-[5-[5-[2-[2-(difluoromethoxy)-4-pyridinyl]acetyl]-2-pyridinyl]-3-methyltriazol-4-yl]acetate;[(1R)-1-(2,5-difluoro-3-pyridinyl)ethyl] 2-[5-[5-[2-[2-(difluoromethyl)-4-pyridinyl]acetyl]-2-pyridinyl]-3-methyltriazol-4-yl]acetate;[(1R)-1-(2,5-difluoro-3-pyridinyl)ethyl] 2-[5-[5-[2-(2-methoxy-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-(trifluoromethyl)phenyl]acetyl]-2-pyridinyl]triazol-4-yl]acetate?

The InChIKey is SKPYQPQCFSCZEE-WJCVKRSGSA-N. The full InChI is InChI=1S/C26H20F5N5O3.C25H20F4N6O4.C25H20F4N6O3.C25H22F2N6O4/c1-14(19-10-18(27)13-33-25(19)28)39-23(38)11-21-24(34-35-36(21)2)20-7-6-16(12-32-20)22(37)9-15-4-3-5-17(8-15)26(29,30)31;1-13(17-9-16(26)12-32-24(17)27)38-22(37)10-19-23(33-34-35(19)2)18-4-3-15(11-31-18)20(36)7-14-5-6-30-21(8-14)39-25(28)29;1-13(17-9-16(26)12-32-25(17)29)38-22(37)10-20-23(33-34-35(20)2)18-4-3-15(11-31-18)21(36)8-14-5-6-30-19(7-14)24(27)28;1-14(18-10-17(26)13-30-25(18)27)37-23(35)11-20-24(31-32-33(20)2)19-5-4-16(12-29-19)21(34)8-15-6-7-28-22(9-15)36-3/h3-8,10,12-14H,9,11H2,1-2H3;3-6,8-9,11-13,25H,7,10H2,1-2H3;3-7,9,11-13,24H,8,10H2,1-2H3;4-7,9-10,12-14H,8,11H2,1-3H3/t14-;2*13-;14-/m1111/s1.

What are the key properties of [(1R)-1-(2,5-difluoro-3-pyridinyl)ethyl] 2-[5-[5-[2-[2-(difluoromethoxy)-4-pyridinyl]acetyl]-2-pyridinyl]-3-methyltriazol-4-yl]acetate;[(1R)-1-(2,5-difluoro-3-pyridinyl)ethyl] 2-[5-[5-[2-[2-(difluoromethyl)-4-pyridinyl]acetyl]-2-pyridinyl]-3-methyltriazol-4-yl]acetate;[(1R)-1-(2,5-difluoro-3-pyridinyl)ethyl] 2-[5-[5-[2-(2-methoxy-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-(trifluoromethyl)phenyl]acetyl]-2-pyridinyl]triazol-4-yl]acetate?

[(1R)-1-(2,5-difluoro-3-pyridinyl)ethyl] 2-[5-[5-[2-[2-(difluoromethoxy)-4-pyridinyl]acetyl]-2-pyridinyl]-3-methyltriazol-4-yl]acetate;[(1R)-1-(2,5-difluoro-3-pyridinyl)ethyl] 2-[5-[5-[2-[2-(difluoromethyl)-4-pyridinyl]acetyl]-2-pyridinyl]-3-methyltriazol-4-yl]acetate;[(1R)-1-(2,5-difluoro-3-pyridinyl)ethyl] 2-[5-[5-[2-(2-methoxy-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-(trifluoromethyl)phenyl]acetyl]-2-pyridinyl]triazol-4-yl]acetate has a molecular weight of 2126.88 g/mol, XLogP of 16.04, 36 rotatable bonds, 0 hydrogen bond donors, and 37 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-(difluoromethoxy)-4-pyridinyl]acetyl]-2-pyridinyl]-3-methyltriazol-4-yl]acetate;[(1R)-1-(2,5-difluoro-3-pyridinyl)ethyl] 2-[5-[5-[2-[2-(difluoromethyl)-4-pyridinyl]acetyl]-2-pyridinyl]-3-methyltriazol-4-yl]acetate;[(1R)-1-(2,5-difluoro-3-pyridinyl)ethyl] 2-[5-[5-[2-(2-methoxy-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-(trifluoromethyl)phenyl]acetyl]-2-pyridinyl]triazol-4-yl]acetate is sourced from PubChem (CID 167664458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).