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

C84H83Br2Cl5N20O15 — CID 167603698

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

6-[5-[2-[(1R)-1-(2-chloro-3-pyridinyl)ethoxy]-2-oxoethyl]-1-methyltriazol-4-yl]-2-methylpyridine-3-carboxylic acid;[(1R)-1-(2-chloro-3-pyridinyl)ethyl] 2-(5-bromo-3-methyltriazol-4-yl)acetate;[(1R)-1-(2-chloro-3-pyridinyl)ethyl] 2-[5-[5-[2-(3-chloro-1-bicyclo[1.1.1]pentanyl)acetyl]-6-methyl-2-pyridinyl]-3-methyltriazol-4-yl]acetate;methyl 6-bromo-2-methylpyridine-3-carboxylate;methyl 6-[5-[2-[(1R)-1-(2-chloro-3-pyridinyl)ethoxy]-2-oxoethyl]-1-methyltriazol-4-yl]-2-methylpyridine-3-carboxylate (PubChem CID 167603698) has the molecular formula C84H83Br2Cl5N20O15 and a molecular weight of 1949.79 g/mol. Its IUPAC name is 6-[5-[2-[(1R)-1-(2-chloro-3-pyridinyl)ethoxy]-2-oxoethyl]-1-methyltriazol-4-yl]-2-methylpyridine-3-carboxylic acid;[(1R)-1-(2-chloro-3-pyridinyl)ethyl] 2-(5-bromo-3-methyltriazol-4-yl)acetate;[(1R)-1-(2-chloro-3-pyridinyl)ethyl] 2-[5-[5-[2-(3-chloro-1-bicyclo[1.1.1]pentanyl)acetyl]-6-methyl-2-pyridinyl]-3-methyltriazol-4-yl]acetate;methyl 6-bromo-2-methylpyridine-3-carboxylate;methyl 6-[5-[2-[(1R)-1-(2-chloro-3-pyridinyl)ethoxy]-2-oxoethyl]-1-methyltriazol-4-yl]-2-methylpyridine-3-carboxylate.

Molecular Properties

• Compound Name: 6-[5-[2-[(1R)-1-(2-chloro-3-pyridinyl)ethoxy]-2-oxoethyl]-1-methyltriazol-4-yl]-2-methylpyridine-3-carboxylic acid;[(1R)-1-(2-chloro-3-pyridinyl)ethyl] 2-(5-bromo-3-methyltriazol-4-yl)acetate;[(1R)-1-(2-chloro-3-pyridinyl)ethyl] 2-[5-[5-[2-(3-chloro-1-bicyclo[1.1.1]pentanyl)acetyl]-6-methyl-2-pyridinyl]-3-methyltriazol-4-yl]acetate;methyl 6-bromo-2-methylpyridine-3-carboxylate;methyl 6-[5-[2-[(1R)-1-(2-chloro-3-pyridinyl)ethoxy]-2-oxoethyl]-1-methyltriazol-4-yl]-2-methylpyridine-3-carboxylate
• PubChem CID: 167603698
• Molecular Formula: C84H83Br2Cl5N20O15
• Molecular Weight: 1949.79 g/mol
• Exact Mass: 1944.32
• IUPAC Name: 6-[5-[2-[(1R)-1-(2-chloro-3-pyridinyl)ethoxy]-2-oxoethyl]-1-methyltriazol-4-yl]-2-methylpyridine-3-carboxylic acid;[(1R)-1-(2-chloro-3-pyridinyl)ethyl] 2-(5-bromo-3-methyltriazol-4-yl)acetate;[(1R)-1-(2-chloro-3-pyridinyl)ethyl] 2-[5-[5-[2-(3-chloro-1-bicyclo[1.1.1]pentanyl)acetyl]-6-methyl-2-pyridinyl]-3-methyltriazol-4-yl]acetate;methyl 6-bromo-2-methylpyridine-3-carboxylate;methyl 6-[5-[2-[(1R)-1-(2-chloro-3-pyridinyl)ethoxy]-2-oxoethyl]-1-methyltriazol-4-yl]-2-methylpyridine-3-carboxylate
• SMILES: COC(=O)c1ccc(-c2nnn(C)c2CC(=O)O[C@H](C)c2cccnc2Cl)nc1C.COC(=O)c1ccc(Br)nc1C.C[C@@H](OC(=O)Cc1c(Br)nnn1C)c1cccnc1Cl.Cc1nc(-c2nnn(C)c2CC(=O)O[C@H](C)c2cccnc2Cl)ccc1C(=O)CC12CC(Cl)(C1)C2.Cc1nc(-c2nnn(C)c2CC(=O)O[C@H](C)c2cccnc2Cl)ccc1C(=O)O
• InChI: InChI=1S/C25H25Cl2N5O3.C20H20ClN5O4.C19H18ClN5O4.C12H12BrClN4O2.C8H8BrNO2/c1-14-16(20(33)10-24-11-25(27,12-24)13-24)6-7-18(29-14)22-19(32(3)31-30-22)9-21(34)35-15(2)17-5-4-8-28-23(17)26;1-11-13(20(28)29-4)7-8-15(23-11)18-16(26(3)25-24-18)10-17(27)30-12(2)14-6-5-9-22-19(14)21;1-10-12(19(27)28)6-7-14(22-10)17-15(25(3)24-23-17)9-16(26)29-11(2)13-5-4-8-21-18(13)20;1-7(8-4-3-5-15-12(8)14)20-10(19)6-9-11(13)16-17-18(9)2;1-5-6(8(11)12-2)3-4-7(9)10-5/h4-8,15H,9-13H2,1-3H3;5-9,12H,10H2,1-4H3;4-8,11H,9H2,1-3H3,(H,27,28);3-5,7H,6H2,1-2H3;3-4H,1-2H3/t15-,24?,25?;12-;11-;7-;/m1111./s1
• InChIKey: KCBYBFCXEFCXJC-VAYJOBJBSA-N
• XLogP: 14.87
• TPSA: 438.13 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 34
• Rotatable Bonds: 25
• Heavy Atoms: 126
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1949.79
LogP ≤ 5	14.87
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-chloro-3-pyridinyl)ethoxy]-2-oxoethyl]-1-methyltriazol-4-yl]-2-methylpyridine-3-carboxylic acid;[(1R)-1-(2-chloro-3-pyridinyl)ethyl] 2-(5-bromo-3-methyltriazol-4-yl)acetate;[(1R)-1-(2-chloro-3-pyridinyl)ethyl] 2-[5-[5-[2-(3-chloro-1-bicyclo[1.1.1]pentanyl)acetyl]-6-methyl-2-pyridinyl]-3-methyltriazol-4-yl]acetate;methyl 6-bromo-2-methylpyridine-3-carboxylate;methyl 6-[5-[2-[(1R)-1-(2-chloro-3-pyridinyl)ethoxy]-2-oxoethyl]-1-methyltriazol-4-yl]-2-methylpyridine-3-carboxylate?

The IUPAC name of 6-[5-[2-[(1R)-1-(2-chloro-3-pyridinyl)ethoxy]-2-oxoethyl]-1-methyltriazol-4-yl]-2-methylpyridine-3-carboxylic acid;[(1R)-1-(2-chloro-3-pyridinyl)ethyl] 2-(5-bromo-3-methyltriazol-4-yl)acetate;[(1R)-1-(2-chloro-3-pyridinyl)ethyl] 2-[5-[5-[2-(3-chloro-1-bicyclo[1.1.1]pentanyl)acetyl]-6-methyl-2-pyridinyl]-3-methyltriazol-4-yl]acetate;methyl 6-bromo-2-methylpyridine-3-carboxylate;methyl 6-[5-[2-[(1R)-1-(2-chloro-3-pyridinyl)ethoxy]-2-oxoethyl]-1-methyltriazol-4-yl]-2-methylpyridine-3-carboxylate (CID 167603698) is 6-[5-[2-[(1R)-1-(2-chloro-3-pyridinyl)ethoxy]-2-oxoethyl]-1-methyltriazol-4-yl]-2-methylpyridine-3-carboxylic acid;[(1R)-1-(2-chloro-3-pyridinyl)ethyl] 2-(5-bromo-3-methyltriazol-4-yl)acetate;[(1R)-1-(2-chloro-3-pyridinyl)ethyl] 2-[5-[5-[2-(3-chloro-1-bicyclo[1.1.1]pentanyl)acetyl]-6-methyl-2-pyridinyl]-3-methyltriazol-4-yl]acetate;methyl 6-bromo-2-methylpyridine-3-carboxylate;methyl 6-[5-[2-[(1R)-1-(2-chloro-3-pyridinyl)ethoxy]-2-oxoethyl]-1-methyltriazol-4-yl]-2-methylpyridine-3-carboxylate.

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

The canonical SMILES for 6-[5-[2-[(1R)-1-(2-chloro-3-pyridinyl)ethoxy]-2-oxoethyl]-1-methyltriazol-4-yl]-2-methylpyridine-3-carboxylic acid;[(1R)-1-(2-chloro-3-pyridinyl)ethyl] 2-(5-bromo-3-methyltriazol-4-yl)acetate;[(1R)-1-(2-chloro-3-pyridinyl)ethyl] 2-[5-[5-[2-(3-chloro-1-bicyclo[1.1.1]pentanyl)acetyl]-6-methyl-2-pyridinyl]-3-methyltriazol-4-yl]acetate;methyl 6-bromo-2-methylpyridine-3-carboxylate;methyl 6-[5-[2-[(1R)-1-(2-chloro-3-pyridinyl)ethoxy]-2-oxoethyl]-1-methyltriazol-4-yl]-2-methylpyridine-3-carboxylate is COC(=O)c1ccc(-c2nnn(C)c2CC(=O)O[C@H](C)c2cccnc2Cl)nc1C.COC(=O)c1ccc(Br)nc1C.C[C@@H](OC(=O)Cc1c(Br)nnn1C)c1cccnc1Cl.Cc1nc(-c2nnn(C)c2CC(=O)O[C@H](C)c2cccnc2Cl)ccc1C(=O)CC12CC(Cl)(C1)C2.Cc1nc(-c2nnn(C)c2CC(=O)O[C@H](C)c2cccnc2Cl)ccc1C(=O)O.

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

The InChIKey is KCBYBFCXEFCXJC-VAYJOBJBSA-N. The full InChI is InChI=1S/C25H25Cl2N5O3.C20H20ClN5O4.C19H18ClN5O4.C12H12BrClN4O2.C8H8BrNO2/c1-14-16(20(33)10-24-11-25(27,12-24)13-24)6-7-18(29-14)22-19(32(3)31-30-22)9-21(34)35-15(2)17-5-4-8-28-23(17)26;1-11-13(20(28)29-4)7-8-15(23-11)18-16(26(3)25-24-18)10-17(27)30-12(2)14-6-5-9-22-19(14)21;1-10-12(19(27)28)6-7-14(22-10)17-15(25(3)24-23-17)9-16(26)29-11(2)13-5-4-8-21-18(13)20;1-7(8-4-3-5-15-12(8)14)20-10(19)6-9-11(13)16-17-18(9)2;1-5-6(8(11)12-2)3-4-7(9)10-5/h4-8,15H,9-13H2,1-3H3;5-9,12H,10H2,1-4H3;4-8,11H,9H2,1-3H3,(H,27,28);3-5,7H,6H2,1-2H3;3-4H,1-2H3/t15-,24?,25?;12-;11-;7-;/m1111./s1.

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

6-[5-[2-[(1R)-1-(2-chloro-3-pyridinyl)ethoxy]-2-oxoethyl]-1-methyltriazol-4-yl]-2-methylpyridine-3-carboxylic acid;[(1R)-1-(2-chloro-3-pyridinyl)ethyl] 2-(5-bromo-3-methyltriazol-4-yl)acetate;[(1R)-1-(2-chloro-3-pyridinyl)ethyl] 2-[5-[5-[2-(3-chloro-1-bicyclo[1.1.1]pentanyl)acetyl]-6-methyl-2-pyridinyl]-3-methyltriazol-4-yl]acetate;methyl 6-bromo-2-methylpyridine-3-carboxylate;methyl 6-[5-[2-[(1R)-1-(2-chloro-3-pyridinyl)ethoxy]-2-oxoethyl]-1-methyltriazol-4-yl]-2-methylpyridine-3-carboxylate has a molecular weight of 1949.79 g/mol, XLogP of 14.87, 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-chloro-3-pyridinyl)ethoxy]-2-oxoethyl]-1-methyltriazol-4-yl]-2-methylpyridine-3-carboxylic acid;[(1R)-1-(2-chloro-3-pyridinyl)ethyl] 2-(5-bromo-3-methyltriazol-4-yl)acetate;[(1R)-1-(2-chloro-3-pyridinyl)ethyl] 2-[5-[5-[2-(3-chloro-1-bicyclo[1.1.1]pentanyl)acetyl]-6-methyl-2-pyridinyl]-3-methyltriazol-4-yl]acetate;methyl 6-bromo-2-methylpyridine-3-carboxylate;methyl 6-[5-[2-[(1R)-1-(2-chloro-3-pyridinyl)ethoxy]-2-oxoethyl]-1-methyltriazol-4-yl]-2-methylpyridine-3-carboxylate is sourced from PubChem (CID 167603698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).