[(1R)-1-(2-chloro-5-fluoro-3-pyridinyl)ethyl] 2-[5-[5-[2-(3-fluoro-1-bicyclo[1.1.1]pentanyl)acetyl]-2-pyridinyl]-3-methyltriazol-4-yl]acetate;[(1R)-1-(2,5-difluoro-3-pyridinyl)ethyl] 2-[3-methyl-5-[5-[2-(3-phenyl-1-bicyclo[1.1.1]pentanyl)acetyl]-2-pyridinyl]triazol-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-[(3-methylsulfonyl-1-bicyclo[1.1.1]pentanyl)carbamoyl]-2-pyridinyl]triazol-4-yl]carbamate

C107H102ClF7N22O14S — CID 167553886

About [(1R)-1-(2-chloro-5-fluoro-3-pyridinyl)ethyl] 2-[5-[5-[2-(3-fluoro-1-bicyclo[1.1.1]pentanyl)acetyl]-2-pyridinyl]-3-methyltriazol-4-yl]acetate;[(1R)-1-(2,5-difluoro-3-pyridinyl)ethyl] 2-[3-methyl-5-[5-[2-(3-phenyl-1-bicyclo[1.1.1]pentanyl)acetyl]-2-pyridinyl]triazol-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-[(3-methylsulfonyl-1-bicyclo[1.1.1]pentanyl)carbamoyl]-2-pyridinyl]triazol-4-yl]carbamate

[(1R)-1-(2-chloro-5-fluoro-3-pyridinyl)ethyl] 2-[5-[5-[2-(3-fluoro-1-bicyclo[1.1.1]pentanyl)acetyl]-2-pyridinyl]-3-methyltriazol-4-yl]acetate;[(1R)-1-(2,5-difluoro-3-pyridinyl)ethyl] 2-[3-methyl-5-[5-[2-(3-phenyl-1-bicyclo[1.1.1]pentanyl)acetyl]-2-pyridinyl]triazol-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-[(3-methylsulfonyl-1-bicyclo[1.1.1]pentanyl)carbamoyl]-2-pyridinyl]triazol-4-yl]carbamate (PubChem CID 167553886) has the molecular formula C107H102ClF7N22O14S and a molecular weight of 2120.64 g/mol. Its IUPAC name is [(1R)-1-(2-chloro-5-fluoro-3-pyridinyl)ethyl] 2-[5-[5-[2-(3-fluoro-1-bicyclo[1.1.1]pentanyl)acetyl]-2-pyridinyl]-3-methyltriazol-4-yl]acetate;[(1R)-1-(2,5-difluoro-3-pyridinyl)ethyl] 2-[3-methyl-5-[5-[2-(3-phenyl-1-bicyclo[1.1.1]pentanyl)acetyl]-2-pyridinyl]triazol-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-[(3-methylsulfonyl-1-bicyclo[1.1.1]pentanyl)carbamoyl]-2-pyridinyl]triazol-4-yl]carbamate.

Molecular Properties

• Compound Name: [(1R)-1-(2-chloro-5-fluoro-3-pyridinyl)ethyl] 2-[5-[5-[2-(3-fluoro-1-bicyclo[1.1.1]pentanyl)acetyl]-2-pyridinyl]-3-methyltriazol-4-yl]acetate;[(1R)-1-(2,5-difluoro-3-pyridinyl)ethyl] 2-[3-methyl-5-[5-[2-(3-phenyl-1-bicyclo[1.1.1]pentanyl)acetyl]-2-pyridinyl]triazol-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-[(3-methylsulfonyl-1-bicyclo[1.1.1]pentanyl)carbamoyl]-2-pyridinyl]triazol-4-yl]carbamate
• PubChem CID: 167553886
• Molecular Formula: C107H102ClF7N22O14S
• Molecular Weight: 2120.64 g/mol
• Exact Mass: 2118.72
• IUPAC Name: [(1R)-1-(2-chloro-5-fluoro-3-pyridinyl)ethyl] 2-[5-[5-[2-(3-fluoro-1-bicyclo[1.1.1]pentanyl)acetyl]-2-pyridinyl]-3-methyltriazol-4-yl]acetate;[(1R)-1-(2,5-difluoro-3-pyridinyl)ethyl] 2-[3-methyl-5-[5-[2-(3-phenyl-1-bicyclo[1.1.1]pentanyl)acetyl]-2-pyridinyl]triazol-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-[(3-methylsulfonyl-1-bicyclo[1.1.1]pentanyl)carbamoyl]-2-pyridinyl]triazol-4-yl]carbamate
• SMILES: C[C@@H](OC(=O)Cc1c(-c2ccc(C(=O)CC34CC(F)(C3)C4)cn2)nnn1C)c1cc(F)cnc1Cl.C[C@@H](OC(=O)Cc1c(-c2ccc(C(=O)CC34CC(c5ccccc5)(C3)C4)cn2)nnn1C)c1cc(F)cnc1F.C[C@@H](OC(=O)Cc1c(-c2ccc(C(=O)CC3CC(c4ccccc4)C3)cn2)nnn1C)c1cc(F)cnc1F.Cc1cnc(F)c([C@@H](C)OC(=O)Nc2c(-c3ccc(C(=O)NC45CC(S(C)(=O)=O)(C4)C5)cn3)nnn2C)c1
• InChI: InChI=1S/C30H27F2N5O3.C29H27F2N5O3.C24H22ClF2N5O3.C24H26FN7O5S/c1-18(22-10-21(31)14-34-28(22)32)40-26(39)11-24-27(35-36-37(24)2)23-9-8-19(13-33-23)25(38)12-29-15-30(16-29,17-29)20-6-4-3-5-7-20;1-17(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;1-13(16-5-15(26)9-29-22(16)25)35-20(34)6-18-21(30-31-32(18)2)17-4-3-14(8-28-17)19(33)7-23-10-24(27,11-23)12-23;1-13-7-16(19(25)27-8-13)14(2)37-22(34)28-20-18(30-31-32(20)3)17-6-5-15(9-26-17)21(33)29-23-10-24(11-23,12-23)38(4,35)36/h3-10,13-14,18H,11-12,15-17H2,1-2H3;3-9,13,15-18,21H,10-12,14H2,1-2H3;3-5,8-9,13H,6-7,10-12H2,1-2H3;5-9,14H,10-12H2,1-4H3,(H,28,34)(H,29,33)/t18-,29?,30?;17-,18?,21?;13-,23?,24?;14-,23?,24?/m1111/s1
• InChIKey: CTGSKSAXKZWALL-PXRYACHCSA-N
• XLogP: 17.11
• TPSA: 457.64 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 34
• Rotatable Bonds: 33
• Heavy Atoms: 152
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2120.64
LogP ≤ 5	17.11
H-Bond Donors ≤ 5	2
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-chloro-5-fluoro-3-pyridinyl)ethyl] 2-[5-[5-[2-(3-fluoro-1-bicyclo[1.1.1]pentanyl)acetyl]-2-pyridinyl]-3-methyltriazol-4-yl]acetate;[(1R)-1-(2,5-difluoro-3-pyridinyl)ethyl] 2-[3-methyl-5-[5-[2-(3-phenyl-1-bicyclo[1.1.1]pentanyl)acetyl]-2-pyridinyl]triazol-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-[(3-methylsulfonyl-1-bicyclo[1.1.1]pentanyl)carbamoyl]-2-pyridinyl]triazol-4-yl]carbamate?

The IUPAC name of [(1R)-1-(2-chloro-5-fluoro-3-pyridinyl)ethyl] 2-[5-[5-[2-(3-fluoro-1-bicyclo[1.1.1]pentanyl)acetyl]-2-pyridinyl]-3-methyltriazol-4-yl]acetate;[(1R)-1-(2,5-difluoro-3-pyridinyl)ethyl] 2-[3-methyl-5-[5-[2-(3-phenyl-1-bicyclo[1.1.1]pentanyl)acetyl]-2-pyridinyl]triazol-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-[(3-methylsulfonyl-1-bicyclo[1.1.1]pentanyl)carbamoyl]-2-pyridinyl]triazol-4-yl]carbamate (CID 167553886) is [(1R)-1-(2-chloro-5-fluoro-3-pyridinyl)ethyl] 2-[5-[5-[2-(3-fluoro-1-bicyclo[1.1.1]pentanyl)acetyl]-2-pyridinyl]-3-methyltriazol-4-yl]acetate;[(1R)-1-(2,5-difluoro-3-pyridinyl)ethyl] 2-[3-methyl-5-[5-[2-(3-phenyl-1-bicyclo[1.1.1]pentanyl)acetyl]-2-pyridinyl]triazol-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-[(3-methylsulfonyl-1-bicyclo[1.1.1]pentanyl)carbamoyl]-2-pyridinyl]triazol-4-yl]carbamate.

What is the SMILES notation for [(1R)-1-(2-chloro-5-fluoro-3-pyridinyl)ethyl] 2-[5-[5-[2-(3-fluoro-1-bicyclo[1.1.1]pentanyl)acetyl]-2-pyridinyl]-3-methyltriazol-4-yl]acetate;[(1R)-1-(2,5-difluoro-3-pyridinyl)ethyl] 2-[3-methyl-5-[5-[2-(3-phenyl-1-bicyclo[1.1.1]pentanyl)acetyl]-2-pyridinyl]triazol-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-[(3-methylsulfonyl-1-bicyclo[1.1.1]pentanyl)carbamoyl]-2-pyridinyl]triazol-4-yl]carbamate?

The canonical SMILES for [(1R)-1-(2-chloro-5-fluoro-3-pyridinyl)ethyl] 2-[5-[5-[2-(3-fluoro-1-bicyclo[1.1.1]pentanyl)acetyl]-2-pyridinyl]-3-methyltriazol-4-yl]acetate;[(1R)-1-(2,5-difluoro-3-pyridinyl)ethyl] 2-[3-methyl-5-[5-[2-(3-phenyl-1-bicyclo[1.1.1]pentanyl)acetyl]-2-pyridinyl]triazol-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-[(3-methylsulfonyl-1-bicyclo[1.1.1]pentanyl)carbamoyl]-2-pyridinyl]triazol-4-yl]carbamate is C[C@@H](OC(=O)Cc1c(-c2ccc(C(=O)CC34CC(F)(C3)C4)cn2)nnn1C)c1cc(F)cnc1Cl.C[C@@H](OC(=O)Cc1c(-c2ccc(C(=O)CC34CC(c5ccccc5)(C3)C4)cn2)nnn1C)c1cc(F)cnc1F.C[C@@H](OC(=O)Cc1c(-c2ccc(C(=O)CC3CC(c4ccccc4)C3)cn2)nnn1C)c1cc(F)cnc1F.Cc1cnc(F)c([C@@H](C)OC(=O)Nc2c(-c3ccc(C(=O)NC45CC(S(C)(=O)=O)(C4)C5)cn3)nnn2C)c1.

What is the InChIKey of [(1R)-1-(2-chloro-5-fluoro-3-pyridinyl)ethyl] 2-[5-[5-[2-(3-fluoro-1-bicyclo[1.1.1]pentanyl)acetyl]-2-pyridinyl]-3-methyltriazol-4-yl]acetate;[(1R)-1-(2,5-difluoro-3-pyridinyl)ethyl] 2-[3-methyl-5-[5-[2-(3-phenyl-1-bicyclo[1.1.1]pentanyl)acetyl]-2-pyridinyl]triazol-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-[(3-methylsulfonyl-1-bicyclo[1.1.1]pentanyl)carbamoyl]-2-pyridinyl]triazol-4-yl]carbamate?

The InChIKey is CTGSKSAXKZWALL-PXRYACHCSA-N. The full InChI is InChI=1S/C30H27F2N5O3.C29H27F2N5O3.C24H22ClF2N5O3.C24H26FN7O5S/c1-18(22-10-21(31)14-34-28(22)32)40-26(39)11-24-27(35-36-37(24)2)23-9-8-19(13-33-23)25(38)12-29-15-30(16-29,17-29)20-6-4-3-5-7-20;1-17(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;1-13(16-5-15(26)9-29-22(16)25)35-20(34)6-18-21(30-31-32(18)2)17-4-3-14(8-28-17)19(33)7-23-10-24(27,11-23)12-23;1-13-7-16(19(25)27-8-13)14(2)37-22(34)28-20-18(30-31-32(20)3)17-6-5-15(9-26-17)21(33)29-23-10-24(11-23,12-23)38(4,35)36/h3-10,13-14,18H,11-12,15-17H2,1-2H3;3-9,13,15-18,21H,10-12,14H2,1-2H3;3-5,8-9,13H,6-7,10-12H2,1-2H3;5-9,14H,10-12H2,1-4H3,(H,28,34)(H,29,33)/t18-,29?,30?;17-,18?,21?;13-,23?,24?;14-,23?,24?/m1111/s1.

What are the key properties of [(1R)-1-(2-chloro-5-fluoro-3-pyridinyl)ethyl] 2-[5-[5-[2-(3-fluoro-1-bicyclo[1.1.1]pentanyl)acetyl]-2-pyridinyl]-3-methyltriazol-4-yl]acetate;[(1R)-1-(2,5-difluoro-3-pyridinyl)ethyl] 2-[3-methyl-5-[5-[2-(3-phenyl-1-bicyclo[1.1.1]pentanyl)acetyl]-2-pyridinyl]triazol-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-[(3-methylsulfonyl-1-bicyclo[1.1.1]pentanyl)carbamoyl]-2-pyridinyl]triazol-4-yl]carbamate?

[(1R)-1-(2-chloro-5-fluoro-3-pyridinyl)ethyl] 2-[5-[5-[2-(3-fluoro-1-bicyclo[1.1.1]pentanyl)acetyl]-2-pyridinyl]-3-methyltriazol-4-yl]acetate;[(1R)-1-(2,5-difluoro-3-pyridinyl)ethyl] 2-[3-methyl-5-[5-[2-(3-phenyl-1-bicyclo[1.1.1]pentanyl)acetyl]-2-pyridinyl]triazol-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-[(3-methylsulfonyl-1-bicyclo[1.1.1]pentanyl)carbamoyl]-2-pyridinyl]triazol-4-yl]carbamate has a molecular weight of 2120.64 g/mol, XLogP of 17.11, 33 rotatable bonds, 2 hydrogen bond donors, and 34 hydrogen bond acceptors.

Where does this data come from?

All data for [(1R)-1-(2-chloro-5-fluoro-3-pyridinyl)ethyl] 2-[5-[5-[2-(3-fluoro-1-bicyclo[1.1.1]pentanyl)acetyl]-2-pyridinyl]-3-methyltriazol-4-yl]acetate;[(1R)-1-(2,5-difluoro-3-pyridinyl)ethyl] 2-[3-methyl-5-[5-[2-(3-phenyl-1-bicyclo[1.1.1]pentanyl)acetyl]-2-pyridinyl]triazol-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-[(3-methylsulfonyl-1-bicyclo[1.1.1]pentanyl)carbamoyl]-2-pyridinyl]triazol-4-yl]carbamate is sourced from PubChem (CID 167553886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).