[(1R)-1-(2-chloro-3-pyridinyl)ethyl] N-[5-[6-chloro-5-[(3-fluoro-1-bicyclo[1.1.1]pentanyl)carbamoyl]-2-pyridinyl]-3-methyltriazol-4-yl]carbamate;[(1R)-1-(2-chloro-3-pyridinyl)ethyl] N-[5-[5-[(3-cyano-1-bicyclo[1.1.1]pentanyl)carbamoyl]-4-fluoro-2-pyridinyl]-3-methyltriazol-4-yl]carbamate;[(1R)-1-(2-chloro-3-pyridinyl)ethyl] N-[5-[5-[(3-cyano-1-bicyclo[1.1.1]pentanyl)carbamoyl]-6-(trifluoromethyl)-2-pyridinyl]-3-methyltriazol-4-yl]carbamate;[(1R)-1-(2-chloro-3-pyridinyl)ethyl] 2-[5-[5-[(3-fluoro-1-bicyclo[1.1.1]pentanyl)carbamoyl]-2-pyridinyl]-3-methyltriazol-4-yl]acetate

C92H82Cl5F6N29O12 — CID 167542432

About [(1R)-1-(2-chloro-3-pyridinyl)ethyl] N-[5-[6-chloro-5-[(3-fluoro-1-bicyclo[1.1.1]pentanyl)carbamoyl]-2-pyridinyl]-3-methyltriazol-4-yl]carbamate;[(1R)-1-(2-chloro-3-pyridinyl)ethyl] N-[5-[5-[(3-cyano-1-bicyclo[1.1.1]pentanyl)carbamoyl]-4-fluoro-2-pyridinyl]-3-methyltriazol-4-yl]carbamate;[(1R)-1-(2-chloro-3-pyridinyl)ethyl] N-[5-[5-[(3-cyano-1-bicyclo[1.1.1]pentanyl)carbamoyl]-6-(trifluoromethyl)-2-pyridinyl]-3-methyltriazol-4-yl]carbamate;[(1R)-1-(2-chloro-3-pyridinyl)ethyl] 2-[5-[5-[(3-fluoro-1-bicyclo[1.1.1]pentanyl)carbamoyl]-2-pyridinyl]-3-methyltriazol-4-yl]acetate

[(1R)-1-(2-chloro-3-pyridinyl)ethyl] N-[5-[6-chloro-5-[(3-fluoro-1-bicyclo[1.1.1]pentanyl)carbamoyl]-2-pyridinyl]-3-methyltriazol-4-yl]carbamate;[(1R)-1-(2-chloro-3-pyridinyl)ethyl] N-[5-[5-[(3-cyano-1-bicyclo[1.1.1]pentanyl)carbamoyl]-4-fluoro-2-pyridinyl]-3-methyltriazol-4-yl]carbamate;[(1R)-1-(2-chloro-3-pyridinyl)ethyl] N-[5-[5-[(3-cyano-1-bicyclo[1.1.1]pentanyl)carbamoyl]-6-(trifluoromethyl)-2-pyridinyl]-3-methyltriazol-4-yl]carbamate;[(1R)-1-(2-chloro-3-pyridinyl)ethyl] 2-[5-[5-[(3-fluoro-1-bicyclo[1.1.1]pentanyl)carbamoyl]-2-pyridinyl]-3-methyltriazol-4-yl]acetate (PubChem CID 167542432) has the molecular formula C92H82Cl5F6N29O12 and a molecular weight of 2077.11 g/mol. Its IUPAC name is [(1R)-1-(2-chloro-3-pyridinyl)ethyl] N-[5-[6-chloro-5-[(3-fluoro-1-bicyclo[1.1.1]pentanyl)carbamoyl]-2-pyridinyl]-3-methyltriazol-4-yl]carbamate;[(1R)-1-(2-chloro-3-pyridinyl)ethyl] N-[5-[5-[(3-cyano-1-bicyclo[1.1.1]pentanyl)carbamoyl]-4-fluoro-2-pyridinyl]-3-methyltriazol-4-yl]carbamate;[(1R)-1-(2-chloro-3-pyridinyl)ethyl] N-[5-[5-[(3-cyano-1-bicyclo[1.1.1]pentanyl)carbamoyl]-6-(trifluoromethyl)-2-pyridinyl]-3-methyltriazol-4-yl]carbamate;[(1R)-1-(2-chloro-3-pyridinyl)ethyl] 2-[5-[5-[(3-fluoro-1-bicyclo[1.1.1]pentanyl)carbamoyl]-2-pyridinyl]-3-methyltriazol-4-yl]acetate.

Molecular Properties

• Compound Name: [(1R)-1-(2-chloro-3-pyridinyl)ethyl] N-[5-[6-chloro-5-[(3-fluoro-1-bicyclo[1.1.1]pentanyl)carbamoyl]-2-pyridinyl]-3-methyltriazol-4-yl]carbamate;[(1R)-1-(2-chloro-3-pyridinyl)ethyl] N-[5-[5-[(3-cyano-1-bicyclo[1.1.1]pentanyl)carbamoyl]-4-fluoro-2-pyridinyl]-3-methyltriazol-4-yl]carbamate;[(1R)-1-(2-chloro-3-pyridinyl)ethyl] N-[5-[5-[(3-cyano-1-bicyclo[1.1.1]pentanyl)carbamoyl]-6-(trifluoromethyl)-2-pyridinyl]-3-methyltriazol-4-yl]carbamate;[(1R)-1-(2-chloro-3-pyridinyl)ethyl] 2-[5-[5-[(3-fluoro-1-bicyclo[1.1.1]pentanyl)carbamoyl]-2-pyridinyl]-3-methyltriazol-4-yl]acetate
• PubChem CID: 167542432
• Molecular Formula: C92H82Cl5F6N29O12
• Molecular Weight: 2077.11 g/mol
• Exact Mass: 2073.50
• IUPAC Name: [(1R)-1-(2-chloro-3-pyridinyl)ethyl] N-[5-[6-chloro-5-[(3-fluoro-1-bicyclo[1.1.1]pentanyl)carbamoyl]-2-pyridinyl]-3-methyltriazol-4-yl]carbamate;[(1R)-1-(2-chloro-3-pyridinyl)ethyl] N-[5-[5-[(3-cyano-1-bicyclo[1.1.1]pentanyl)carbamoyl]-4-fluoro-2-pyridinyl]-3-methyltriazol-4-yl]carbamate;[(1R)-1-(2-chloro-3-pyridinyl)ethyl] N-[5-[5-[(3-cyano-1-bicyclo[1.1.1]pentanyl)carbamoyl]-6-(trifluoromethyl)-2-pyridinyl]-3-methyltriazol-4-yl]carbamate;[(1R)-1-(2-chloro-3-pyridinyl)ethyl] 2-[5-[5-[(3-fluoro-1-bicyclo[1.1.1]pentanyl)carbamoyl]-2-pyridinyl]-3-methyltriazol-4-yl]acetate
• SMILES: C[C@@H](OC(=O)Cc1c(-c2ccc(C(=O)NC34CC(F)(C3)C4)cn2)nnn1C)c1cccnc1Cl.C[C@@H](OC(=O)Nc1c(-c2cc(F)c(C(=O)NC34CC(C#N)(C3)C4)cn2)nnn1C)c1cccnc1Cl.C[C@@H](OC(=O)Nc1c(-c2ccc(C(=O)NC34CC(C#N)(C3)C4)c(C(F)(F)F)n2)nnn1C)c1cccnc1Cl.C[C@@H](OC(=O)Nc1c(-c2ccc(C(=O)NC34CC(F)(C3)C4)c(Cl)n2)nnn1C)c1cccnc1Cl
• InChI: InChI=1S/C24H20ClF3N8O3.C23H20ClFN8O3.C23H22ClFN6O3.C22H20Cl2FN7O3/c1-12(13-4-3-7-30-18(13)25)39-21(38)32-19-16(34-35-36(19)2)15-6-5-14(17(31-15)24(26,27)28)20(37)33-23-8-22(9-23,10-23)11-29;1-12(13-4-3-5-27-18(13)24)36-21(35)29-19-17(31-32-33(19)2)16-6-15(25)14(7-28-16)20(34)30-23-8-22(9-23,10-23)11-26;1-13(15-4-3-7-26-20(15)24)34-18(32)8-17-19(29-30-31(17)2)16-6-5-14(9-27-16)21(33)28-23-10-22(25,11-23)12-23;1-11(12-4-3-7-26-16(12)23)35-20(34)28-18-15(30-31-32(18)2)14-6-5-13(17(24)27-14)19(33)29-22-8-21(25,9-22)10-22/h3-7,12H,8-10H2,1-2H3,(H,32,38)(H,33,37);3-7,12H,8-10H2,1-2H3,(H,29,35)(H,30,34);3-7,9,13H,8,10-12H2,1-2H3,(H,28,33);3-7,11H,8-10H2,1-2H3,(H,28,34)(H,29,33)/t2*12-,22?,23?;13-,22?,23?;11-,21?,22?/m1111/s1
• InChIKey: BJFFEXALXADAEU-LKUXKLILSA-N
• XLogP: 15.39
• TPSA: 531.23 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 34
• Rotatable Bonds: 25
• Heavy Atoms: 144
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2077.11
LogP ≤ 5	15.39
H-Bond Donors ≤ 5	7
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-3-pyridinyl)ethyl] N-[5-[6-chloro-5-[(3-fluoro-1-bicyclo[1.1.1]pentanyl)carbamoyl]-2-pyridinyl]-3-methyltriazol-4-yl]carbamate;[(1R)-1-(2-chloro-3-pyridinyl)ethyl] N-[5-[5-[(3-cyano-1-bicyclo[1.1.1]pentanyl)carbamoyl]-4-fluoro-2-pyridinyl]-3-methyltriazol-4-yl]carbamate;[(1R)-1-(2-chloro-3-pyridinyl)ethyl] N-[5-[5-[(3-cyano-1-bicyclo[1.1.1]pentanyl)carbamoyl]-6-(trifluoromethyl)-2-pyridinyl]-3-methyltriazol-4-yl]carbamate;[(1R)-1-(2-chloro-3-pyridinyl)ethyl] 2-[5-[5-[(3-fluoro-1-bicyclo[1.1.1]pentanyl)carbamoyl]-2-pyridinyl]-3-methyltriazol-4-yl]acetate?

The IUPAC name of [(1R)-1-(2-chloro-3-pyridinyl)ethyl] N-[5-[6-chloro-5-[(3-fluoro-1-bicyclo[1.1.1]pentanyl)carbamoyl]-2-pyridinyl]-3-methyltriazol-4-yl]carbamate;[(1R)-1-(2-chloro-3-pyridinyl)ethyl] N-[5-[5-[(3-cyano-1-bicyclo[1.1.1]pentanyl)carbamoyl]-4-fluoro-2-pyridinyl]-3-methyltriazol-4-yl]carbamate;[(1R)-1-(2-chloro-3-pyridinyl)ethyl] N-[5-[5-[(3-cyano-1-bicyclo[1.1.1]pentanyl)carbamoyl]-6-(trifluoromethyl)-2-pyridinyl]-3-methyltriazol-4-yl]carbamate;[(1R)-1-(2-chloro-3-pyridinyl)ethyl] 2-[5-[5-[(3-fluoro-1-bicyclo[1.1.1]pentanyl)carbamoyl]-2-pyridinyl]-3-methyltriazol-4-yl]acetate (CID 167542432) is [(1R)-1-(2-chloro-3-pyridinyl)ethyl] N-[5-[6-chloro-5-[(3-fluoro-1-bicyclo[1.1.1]pentanyl)carbamoyl]-2-pyridinyl]-3-methyltriazol-4-yl]carbamate;[(1R)-1-(2-chloro-3-pyridinyl)ethyl] N-[5-[5-[(3-cyano-1-bicyclo[1.1.1]pentanyl)carbamoyl]-4-fluoro-2-pyridinyl]-3-methyltriazol-4-yl]carbamate;[(1R)-1-(2-chloro-3-pyridinyl)ethyl] N-[5-[5-[(3-cyano-1-bicyclo[1.1.1]pentanyl)carbamoyl]-6-(trifluoromethyl)-2-pyridinyl]-3-methyltriazol-4-yl]carbamate;[(1R)-1-(2-chloro-3-pyridinyl)ethyl] 2-[5-[5-[(3-fluoro-1-bicyclo[1.1.1]pentanyl)carbamoyl]-2-pyridinyl]-3-methyltriazol-4-yl]acetate.

What is the SMILES notation for [(1R)-1-(2-chloro-3-pyridinyl)ethyl] N-[5-[6-chloro-5-[(3-fluoro-1-bicyclo[1.1.1]pentanyl)carbamoyl]-2-pyridinyl]-3-methyltriazol-4-yl]carbamate;[(1R)-1-(2-chloro-3-pyridinyl)ethyl] N-[5-[5-[(3-cyano-1-bicyclo[1.1.1]pentanyl)carbamoyl]-4-fluoro-2-pyridinyl]-3-methyltriazol-4-yl]carbamate;[(1R)-1-(2-chloro-3-pyridinyl)ethyl] N-[5-[5-[(3-cyano-1-bicyclo[1.1.1]pentanyl)carbamoyl]-6-(trifluoromethyl)-2-pyridinyl]-3-methyltriazol-4-yl]carbamate;[(1R)-1-(2-chloro-3-pyridinyl)ethyl] 2-[5-[5-[(3-fluoro-1-bicyclo[1.1.1]pentanyl)carbamoyl]-2-pyridinyl]-3-methyltriazol-4-yl]acetate?

The canonical SMILES for [(1R)-1-(2-chloro-3-pyridinyl)ethyl] N-[5-[6-chloro-5-[(3-fluoro-1-bicyclo[1.1.1]pentanyl)carbamoyl]-2-pyridinyl]-3-methyltriazol-4-yl]carbamate;[(1R)-1-(2-chloro-3-pyridinyl)ethyl] N-[5-[5-[(3-cyano-1-bicyclo[1.1.1]pentanyl)carbamoyl]-4-fluoro-2-pyridinyl]-3-methyltriazol-4-yl]carbamate;[(1R)-1-(2-chloro-3-pyridinyl)ethyl] N-[5-[5-[(3-cyano-1-bicyclo[1.1.1]pentanyl)carbamoyl]-6-(trifluoromethyl)-2-pyridinyl]-3-methyltriazol-4-yl]carbamate;[(1R)-1-(2-chloro-3-pyridinyl)ethyl] 2-[5-[5-[(3-fluoro-1-bicyclo[1.1.1]pentanyl)carbamoyl]-2-pyridinyl]-3-methyltriazol-4-yl]acetate is C[C@@H](OC(=O)Cc1c(-c2ccc(C(=O)NC34CC(F)(C3)C4)cn2)nnn1C)c1cccnc1Cl.C[C@@H](OC(=O)Nc1c(-c2cc(F)c(C(=O)NC34CC(C#N)(C3)C4)cn2)nnn1C)c1cccnc1Cl.C[C@@H](OC(=O)Nc1c(-c2ccc(C(=O)NC34CC(C#N)(C3)C4)c(C(F)(F)F)n2)nnn1C)c1cccnc1Cl.C[C@@H](OC(=O)Nc1c(-c2ccc(C(=O)NC34CC(F)(C3)C4)c(Cl)n2)nnn1C)c1cccnc1Cl.

What is the InChIKey of [(1R)-1-(2-chloro-3-pyridinyl)ethyl] N-[5-[6-chloro-5-[(3-fluoro-1-bicyclo[1.1.1]pentanyl)carbamoyl]-2-pyridinyl]-3-methyltriazol-4-yl]carbamate;[(1R)-1-(2-chloro-3-pyridinyl)ethyl] N-[5-[5-[(3-cyano-1-bicyclo[1.1.1]pentanyl)carbamoyl]-4-fluoro-2-pyridinyl]-3-methyltriazol-4-yl]carbamate;[(1R)-1-(2-chloro-3-pyridinyl)ethyl] N-[5-[5-[(3-cyano-1-bicyclo[1.1.1]pentanyl)carbamoyl]-6-(trifluoromethyl)-2-pyridinyl]-3-methyltriazol-4-yl]carbamate;[(1R)-1-(2-chloro-3-pyridinyl)ethyl] 2-[5-[5-[(3-fluoro-1-bicyclo[1.1.1]pentanyl)carbamoyl]-2-pyridinyl]-3-methyltriazol-4-yl]acetate?

The InChIKey is BJFFEXALXADAEU-LKUXKLILSA-N. The full InChI is InChI=1S/C24H20ClF3N8O3.C23H20ClFN8O3.C23H22ClFN6O3.C22H20Cl2FN7O3/c1-12(13-4-3-7-30-18(13)25)39-21(38)32-19-16(34-35-36(19)2)15-6-5-14(17(31-15)24(26,27)28)20(37)33-23-8-22(9-23,10-23)11-29;1-12(13-4-3-5-27-18(13)24)36-21(35)29-19-17(31-32-33(19)2)16-6-15(25)14(7-28-16)20(34)30-23-8-22(9-23,10-23)11-26;1-13(15-4-3-7-26-20(15)24)34-18(32)8-17-19(29-30-31(17)2)16-6-5-14(9-27-16)21(33)28-23-10-22(25,11-23)12-23;1-11(12-4-3-7-26-16(12)23)35-20(34)28-18-15(30-31-32(18)2)14-6-5-13(17(24)27-14)19(33)29-22-8-21(25,9-22)10-22/h3-7,12H,8-10H2,1-2H3,(H,32,38)(H,33,37);3-7,12H,8-10H2,1-2H3,(H,29,35)(H,30,34);3-7,9,13H,8,10-12H2,1-2H3,(H,28,33);3-7,11H,8-10H2,1-2H3,(H,28,34)(H,29,33)/t2*12-,22?,23?;13-,22?,23?;11-,21?,22?/m1111/s1.

What are the key properties of [(1R)-1-(2-chloro-3-pyridinyl)ethyl] N-[5-[6-chloro-5-[(3-fluoro-1-bicyclo[1.1.1]pentanyl)carbamoyl]-2-pyridinyl]-3-methyltriazol-4-yl]carbamate;[(1R)-1-(2-chloro-3-pyridinyl)ethyl] N-[5-[5-[(3-cyano-1-bicyclo[1.1.1]pentanyl)carbamoyl]-4-fluoro-2-pyridinyl]-3-methyltriazol-4-yl]carbamate;[(1R)-1-(2-chloro-3-pyridinyl)ethyl] N-[5-[5-[(3-cyano-1-bicyclo[1.1.1]pentanyl)carbamoyl]-6-(trifluoromethyl)-2-pyridinyl]-3-methyltriazol-4-yl]carbamate;[(1R)-1-(2-chloro-3-pyridinyl)ethyl] 2-[5-[5-[(3-fluoro-1-bicyclo[1.1.1]pentanyl)carbamoyl]-2-pyridinyl]-3-methyltriazol-4-yl]acetate?

[(1R)-1-(2-chloro-3-pyridinyl)ethyl] N-[5-[6-chloro-5-[(3-fluoro-1-bicyclo[1.1.1]pentanyl)carbamoyl]-2-pyridinyl]-3-methyltriazol-4-yl]carbamate;[(1R)-1-(2-chloro-3-pyridinyl)ethyl] N-[5-[5-[(3-cyano-1-bicyclo[1.1.1]pentanyl)carbamoyl]-4-fluoro-2-pyridinyl]-3-methyltriazol-4-yl]carbamate;[(1R)-1-(2-chloro-3-pyridinyl)ethyl] N-[5-[5-[(3-cyano-1-bicyclo[1.1.1]pentanyl)carbamoyl]-6-(trifluoromethyl)-2-pyridinyl]-3-methyltriazol-4-yl]carbamate;[(1R)-1-(2-chloro-3-pyridinyl)ethyl] 2-[5-[5-[(3-fluoro-1-bicyclo[1.1.1]pentanyl)carbamoyl]-2-pyridinyl]-3-methyltriazol-4-yl]acetate has a molecular weight of 2077.11 g/mol, XLogP of 15.39, 25 rotatable bonds, 7 hydrogen bond donors, and 34 hydrogen bond acceptors.

Where does this data come from?

All data for [(1R)-1-(2-chloro-3-pyridinyl)ethyl] N-[5-[6-chloro-5-[(3-fluoro-1-bicyclo[1.1.1]pentanyl)carbamoyl]-2-pyridinyl]-3-methyltriazol-4-yl]carbamate;[(1R)-1-(2-chloro-3-pyridinyl)ethyl] N-[5-[5-[(3-cyano-1-bicyclo[1.1.1]pentanyl)carbamoyl]-4-fluoro-2-pyridinyl]-3-methyltriazol-4-yl]carbamate;[(1R)-1-(2-chloro-3-pyridinyl)ethyl] N-[5-[5-[(3-cyano-1-bicyclo[1.1.1]pentanyl)carbamoyl]-6-(trifluoromethyl)-2-pyridinyl]-3-methyltriazol-4-yl]carbamate;[(1R)-1-(2-chloro-3-pyridinyl)ethyl] 2-[5-[5-[(3-fluoro-1-bicyclo[1.1.1]pentanyl)carbamoyl]-2-pyridinyl]-3-methyltriazol-4-yl]acetate is sourced from PubChem (CID 167542432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).