6-[5-[2-[(1R)-1-(2-fluoro-3-pyridinyl)ethoxy]-2-oxoethyl]-1-methyltriazol-4-yl]pyridine-3-carboxylic acid;[(1R)-1-(2-fluoro-3-pyridinyl)ethyl] 2-(5-bromo-3-methyltriazol-4-yl)acetate;[(1R)-1-(2-fluoro-3-pyridinyl)ethyl] 2-[5-[5-[2-(3-chloro-1-bicyclo[1.1.1]pentanyl)acetyl]-2-pyridinyl]-3-methyltriazol-4-yl]acetate;methyl 6-bromopyridine-3-carboxylate;methyl 6-[5-[2-[(1R)-1-(2-fluoro-3-pyridinyl)ethoxy]-2-oxoethyl]-1-methyltriazol-4-yl]pyridine-3-carboxylate

C80H75Br2ClF4N20O15 — CID 167687847

About 6-[5-[2-[(1R)-1-(2-fluoro-3-pyridinyl)ethoxy]-2-oxoethyl]-1-methyltriazol-4-yl]pyridine-3-carboxylic acid;[(1R)-1-(2-fluoro-3-pyridinyl)ethyl] 2-(5-bromo-3-methyltriazol-4-yl)acetate;[(1R)-1-(2-fluoro-3-pyridinyl)ethyl] 2-[5-[5-[2-(3-chloro-1-bicyclo[1.1.1]pentanyl)acetyl]-2-pyridinyl]-3-methyltriazol-4-yl]acetate;methyl 6-bromopyridine-3-carboxylate;methyl 6-[5-[2-[(1R)-1-(2-fluoro-3-pyridinyl)ethoxy]-2-oxoethyl]-1-methyltriazol-4-yl]pyridine-3-carboxylate

6-[5-[2-[(1R)-1-(2-fluoro-3-pyridinyl)ethoxy]-2-oxoethyl]-1-methyltriazol-4-yl]pyridine-3-carboxylic acid;[(1R)-1-(2-fluoro-3-pyridinyl)ethyl] 2-(5-bromo-3-methyltriazol-4-yl)acetate;[(1R)-1-(2-fluoro-3-pyridinyl)ethyl] 2-[5-[5-[2-(3-chloro-1-bicyclo[1.1.1]pentanyl)acetyl]-2-pyridinyl]-3-methyltriazol-4-yl]acetate;methyl 6-bromopyridine-3-carboxylate;methyl 6-[5-[2-[(1R)-1-(2-fluoro-3-pyridinyl)ethoxy]-2-oxoethyl]-1-methyltriazol-4-yl]pyridine-3-carboxylate (PubChem CID 167687847) has the molecular formula C80H75Br2ClF4N20O15 and a molecular weight of 1827.86 g/mol. Its IUPAC name is 6-[5-[2-[(1R)-1-(2-fluoro-3-pyridinyl)ethoxy]-2-oxoethyl]-1-methyltriazol-4-yl]pyridine-3-carboxylic acid;[(1R)-1-(2-fluoro-3-pyridinyl)ethyl] 2-(5-bromo-3-methyltriazol-4-yl)acetate;[(1R)-1-(2-fluoro-3-pyridinyl)ethyl] 2-[5-[5-[2-(3-chloro-1-bicyclo[1.1.1]pentanyl)acetyl]-2-pyridinyl]-3-methyltriazol-4-yl]acetate;methyl 6-bromopyridine-3-carboxylate;methyl 6-[5-[2-[(1R)-1-(2-fluoro-3-pyridinyl)ethoxy]-2-oxoethyl]-1-methyltriazol-4-yl]pyridine-3-carboxylate.

Molecular Properties

• Compound Name: 6-[5-[2-[(1R)-1-(2-fluoro-3-pyridinyl)ethoxy]-2-oxoethyl]-1-methyltriazol-4-yl]pyridine-3-carboxylic acid;[(1R)-1-(2-fluoro-3-pyridinyl)ethyl] 2-(5-bromo-3-methyltriazol-4-yl)acetate;[(1R)-1-(2-fluoro-3-pyridinyl)ethyl] 2-[5-[5-[2-(3-chloro-1-bicyclo[1.1.1]pentanyl)acetyl]-2-pyridinyl]-3-methyltriazol-4-yl]acetate;methyl 6-bromopyridine-3-carboxylate;methyl 6-[5-[2-[(1R)-1-(2-fluoro-3-pyridinyl)ethoxy]-2-oxoethyl]-1-methyltriazol-4-yl]pyridine-3-carboxylate
• PubChem CID: 167687847
• Molecular Formula: C80H75Br2ClF4N20O15
• Molecular Weight: 1827.86 g/mol
• Exact Mass: 1824.37
• IUPAC Name: 6-[5-[2-[(1R)-1-(2-fluoro-3-pyridinyl)ethoxy]-2-oxoethyl]-1-methyltriazol-4-yl]pyridine-3-carboxylic acid;[(1R)-1-(2-fluoro-3-pyridinyl)ethyl] 2-(5-bromo-3-methyltriazol-4-yl)acetate;[(1R)-1-(2-fluoro-3-pyridinyl)ethyl] 2-[5-[5-[2-(3-chloro-1-bicyclo[1.1.1]pentanyl)acetyl]-2-pyridinyl]-3-methyltriazol-4-yl]acetate;methyl 6-bromopyridine-3-carboxylate;methyl 6-[5-[2-[(1R)-1-(2-fluoro-3-pyridinyl)ethoxy]-2-oxoethyl]-1-methyltriazol-4-yl]pyridine-3-carboxylate
• SMILES: COC(=O)c1ccc(-c2nnn(C)c2CC(=O)O[C@H](C)c2cccnc2F)nc1.COC(=O)c1ccc(Br)nc1.C[C@@H](OC(=O)Cc1c(-c2ccc(C(=O)CC34CC(Cl)(C3)C4)cn2)nnn1C)c1cccnc1F.C[C@@H](OC(=O)Cc1c(-c2ccc(C(=O)O)cn2)nnn1C)c1cccnc1F.C[C@@H](OC(=O)Cc1c(Br)nnn1C)c1cccnc1F
• InChI: InChI=1S/C24H23ClFN5O3.C19H18FN5O4.C18H16FN5O4.C12H12BrFN4O2.C7H6BrNO2/c1-14(16-4-3-7-27-22(16)26)34-20(33)8-18-21(29-30-31(18)2)17-6-5-15(10-28-17)19(32)9-23-11-24(25,12-23)13-23;1-11(13-5-4-8-21-18(13)20)29-16(26)9-15-17(23-24-25(15)2)14-7-6-12(10-22-14)19(27)28-3;1-10(12-4-3-7-20-17(12)19)28-15(25)8-14-16(22-23-24(14)2)13-6-5-11(9-21-13)18(26)27;1-7(8-4-3-5-15-12(8)14)20-10(19)6-9-11(13)16-17-18(9)2;1-11-7(10)5-2-3-6(8)9-4-5/h3-7,10,14H,8-9,11-13H2,1-2H3;4-8,10-11H,9H2,1-3H3;3-7,9-10H,8H2,1-2H3,(H,26,27);3-5,7H,6H2,1-2H3;2-4H,1H3/t14-,23?,24?;11-;10-;7-;/m1111./s1
• InChIKey: WMCTWBRVRLYTEF-CYESREJLSA-N
• XLogP: 11.58
• TPSA: 438.13 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 34
• Rotatable Bonds: 25
• Heavy Atoms: 122
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1827.86
LogP ≤ 5	11.58
H-Bond Donors ≤ 5	1
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'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 6-[5-[2-[(1R)-1-(2-fluoro-3-pyridinyl)ethoxy]-2-oxoethyl]-1-methyltriazol-4-yl]pyridine-3-carboxylic acid;[(1R)-1-(2-fluoro-3-pyridinyl)ethyl] 2-(5-bromo-3-methyltriazol-4-yl)acetate;[(1R)-1-(2-fluoro-3-pyridinyl)ethyl] 2-[5-[5-[2-(3-chloro-1-bicyclo[1.1.1]pentanyl)acetyl]-2-pyridinyl]-3-methyltriazol-4-yl]acetate;methyl 6-bromopyridine-3-carboxylate;methyl 6-[5-[2-[(1R)-1-(2-fluoro-3-pyridinyl)ethoxy]-2-oxoethyl]-1-methyltriazol-4-yl]pyridine-3-carboxylate?

The IUPAC name of 6-[5-[2-[(1R)-1-(2-fluoro-3-pyridinyl)ethoxy]-2-oxoethyl]-1-methyltriazol-4-yl]pyridine-3-carboxylic acid;[(1R)-1-(2-fluoro-3-pyridinyl)ethyl] 2-(5-bromo-3-methyltriazol-4-yl)acetate;[(1R)-1-(2-fluoro-3-pyridinyl)ethyl] 2-[5-[5-[2-(3-chloro-1-bicyclo[1.1.1]pentanyl)acetyl]-2-pyridinyl]-3-methyltriazol-4-yl]acetate;methyl 6-bromopyridine-3-carboxylate;methyl 6-[5-[2-[(1R)-1-(2-fluoro-3-pyridinyl)ethoxy]-2-oxoethyl]-1-methyltriazol-4-yl]pyridine-3-carboxylate (CID 167687847) is 6-[5-[2-[(1R)-1-(2-fluoro-3-pyridinyl)ethoxy]-2-oxoethyl]-1-methyltriazol-4-yl]pyridine-3-carboxylic acid;[(1R)-1-(2-fluoro-3-pyridinyl)ethyl] 2-(5-bromo-3-methyltriazol-4-yl)acetate;[(1R)-1-(2-fluoro-3-pyridinyl)ethyl] 2-[5-[5-[2-(3-chloro-1-bicyclo[1.1.1]pentanyl)acetyl]-2-pyridinyl]-3-methyltriazol-4-yl]acetate;methyl 6-bromopyridine-3-carboxylate;methyl 6-[5-[2-[(1R)-1-(2-fluoro-3-pyridinyl)ethoxy]-2-oxoethyl]-1-methyltriazol-4-yl]pyridine-3-carboxylate.

What is the SMILES notation for 6-[5-[2-[(1R)-1-(2-fluoro-3-pyridinyl)ethoxy]-2-oxoethyl]-1-methyltriazol-4-yl]pyridine-3-carboxylic acid;[(1R)-1-(2-fluoro-3-pyridinyl)ethyl] 2-(5-bromo-3-methyltriazol-4-yl)acetate;[(1R)-1-(2-fluoro-3-pyridinyl)ethyl] 2-[5-[5-[2-(3-chloro-1-bicyclo[1.1.1]pentanyl)acetyl]-2-pyridinyl]-3-methyltriazol-4-yl]acetate;methyl 6-bromopyridine-3-carboxylate;methyl 6-[5-[2-[(1R)-1-(2-fluoro-3-pyridinyl)ethoxy]-2-oxoethyl]-1-methyltriazol-4-yl]pyridine-3-carboxylate?

The canonical SMILES for 6-[5-[2-[(1R)-1-(2-fluoro-3-pyridinyl)ethoxy]-2-oxoethyl]-1-methyltriazol-4-yl]pyridine-3-carboxylic acid;[(1R)-1-(2-fluoro-3-pyridinyl)ethyl] 2-(5-bromo-3-methyltriazol-4-yl)acetate;[(1R)-1-(2-fluoro-3-pyridinyl)ethyl] 2-[5-[5-[2-(3-chloro-1-bicyclo[1.1.1]pentanyl)acetyl]-2-pyridinyl]-3-methyltriazol-4-yl]acetate;methyl 6-bromopyridine-3-carboxylate;methyl 6-[5-[2-[(1R)-1-(2-fluoro-3-pyridinyl)ethoxy]-2-oxoethyl]-1-methyltriazol-4-yl]pyridine-3-carboxylate is COC(=O)c1ccc(-c2nnn(C)c2CC(=O)O[C@H](C)c2cccnc2F)nc1.COC(=O)c1ccc(Br)nc1.C[C@@H](OC(=O)Cc1c(-c2ccc(C(=O)CC34CC(Cl)(C3)C4)cn2)nnn1C)c1cccnc1F.C[C@@H](OC(=O)Cc1c(-c2ccc(C(=O)O)cn2)nnn1C)c1cccnc1F.C[C@@H](OC(=O)Cc1c(Br)nnn1C)c1cccnc1F.

What is the InChIKey of 6-[5-[2-[(1R)-1-(2-fluoro-3-pyridinyl)ethoxy]-2-oxoethyl]-1-methyltriazol-4-yl]pyridine-3-carboxylic acid;[(1R)-1-(2-fluoro-3-pyridinyl)ethyl] 2-(5-bromo-3-methyltriazol-4-yl)acetate;[(1R)-1-(2-fluoro-3-pyridinyl)ethyl] 2-[5-[5-[2-(3-chloro-1-bicyclo[1.1.1]pentanyl)acetyl]-2-pyridinyl]-3-methyltriazol-4-yl]acetate;methyl 6-bromopyridine-3-carboxylate;methyl 6-[5-[2-[(1R)-1-(2-fluoro-3-pyridinyl)ethoxy]-2-oxoethyl]-1-methyltriazol-4-yl]pyridine-3-carboxylate?

The InChIKey is WMCTWBRVRLYTEF-CYESREJLSA-N. The full InChI is InChI=1S/C24H23ClFN5O3.C19H18FN5O4.C18H16FN5O4.C12H12BrFN4O2.C7H6BrNO2/c1-14(16-4-3-7-27-22(16)26)34-20(33)8-18-21(29-30-31(18)2)17-6-5-15(10-28-17)19(32)9-23-11-24(25,12-23)13-23;1-11(13-5-4-8-21-18(13)20)29-16(26)9-15-17(23-24-25(15)2)14-7-6-12(10-22-14)19(27)28-3;1-10(12-4-3-7-20-17(12)19)28-15(25)8-14-16(22-23-24(14)2)13-6-5-11(9-21-13)18(26)27;1-7(8-4-3-5-15-12(8)14)20-10(19)6-9-11(13)16-17-18(9)2;1-11-7(10)5-2-3-6(8)9-4-5/h3-7,10,14H,8-9,11-13H2,1-2H3;4-8,10-11H,9H2,1-3H3;3-7,9-10H,8H2,1-2H3,(H,26,27);3-5,7H,6H2,1-2H3;2-4H,1H3/t14-,23?,24?;11-;10-;7-;/m1111./s1.

What are the key properties of 6-[5-[2-[(1R)-1-(2-fluoro-3-pyridinyl)ethoxy]-2-oxoethyl]-1-methyltriazol-4-yl]pyridine-3-carboxylic acid;[(1R)-1-(2-fluoro-3-pyridinyl)ethyl] 2-(5-bromo-3-methyltriazol-4-yl)acetate;[(1R)-1-(2-fluoro-3-pyridinyl)ethyl] 2-[5-[5-[2-(3-chloro-1-bicyclo[1.1.1]pentanyl)acetyl]-2-pyridinyl]-3-methyltriazol-4-yl]acetate;methyl 6-bromopyridine-3-carboxylate;methyl 6-[5-[2-[(1R)-1-(2-fluoro-3-pyridinyl)ethoxy]-2-oxoethyl]-1-methyltriazol-4-yl]pyridine-3-carboxylate?

6-[5-[2-[(1R)-1-(2-fluoro-3-pyridinyl)ethoxy]-2-oxoethyl]-1-methyltriazol-4-yl]pyridine-3-carboxylic acid;[(1R)-1-(2-fluoro-3-pyridinyl)ethyl] 2-(5-bromo-3-methyltriazol-4-yl)acetate;[(1R)-1-(2-fluoro-3-pyridinyl)ethyl] 2-[5-[5-[2-(3-chloro-1-bicyclo[1.1.1]pentanyl)acetyl]-2-pyridinyl]-3-methyltriazol-4-yl]acetate;methyl 6-bromopyridine-3-carboxylate;methyl 6-[5-[2-[(1R)-1-(2-fluoro-3-pyridinyl)ethoxy]-2-oxoethyl]-1-methyltriazol-4-yl]pyridine-3-carboxylate has a molecular weight of 1827.86 g/mol, XLogP of 11.58, 25 rotatable bonds, 1 hydrogen bond donors, and 34 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[5-[2-[(1R)-1-(2-fluoro-3-pyridinyl)ethoxy]-2-oxoethyl]-1-methyltriazol-4-yl]pyridine-3-carboxylic acid;[(1R)-1-(2-fluoro-3-pyridinyl)ethyl] 2-(5-bromo-3-methyltriazol-4-yl)acetate;[(1R)-1-(2-fluoro-3-pyridinyl)ethyl] 2-[5-[5-[2-(3-chloro-1-bicyclo[1.1.1]pentanyl)acetyl]-2-pyridinyl]-3-methyltriazol-4-yl]acetate;methyl 6-bromopyridine-3-carboxylate;methyl 6-[5-[2-[(1R)-1-(2-fluoro-3-pyridinyl)ethoxy]-2-oxoethyl]-1-methyltriazol-4-yl]pyridine-3-carboxylate is sourced from PubChem (CID 167687847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).