5-bromo-3-ethyltriazole-4-carboxylic acid;tert-butyl N-(6-bromo-2-methyl-3-pyridinyl)carbamate;[(1R)-1-(2-chloro-3-pyridinyl)ethyl] 2-[3-ethyl-5-[5-(methanesulfonamido)-6-methyl-2-pyridinyl]triazol-4-yl]acetate;[(1R)-1-(2-chloro-3-pyridinyl)ethyl] 2-[3-ethyl-5-[6-methyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]-2-pyridinyl]triazol-4-yl]acetate;3-ethyl-5-[6-methyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]-2-pyridinyl]triazole-4-carboxylic acid

C76H94Br2Cl2N22O16S — CID 159279974

About 5-bromo-3-ethyltriazole-4-carboxylic acid;tert-butyl N-(6-bromo-2-methyl-3-pyridinyl)carbamate;[(1R)-1-(2-chloro-3-pyridinyl)ethyl] 2-[3-ethyl-5-[5-(methanesulfonamido)-6-methyl-2-pyridinyl]triazol-4-yl]acetate;[(1R)-1-(2-chloro-3-pyridinyl)ethyl] 2-[3-ethyl-5-[6-methyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]-2-pyridinyl]triazol-4-yl]acetate;3-ethyl-5-[6-methyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]-2-pyridinyl]triazole-4-carboxylic acid

5-bromo-3-ethyltriazole-4-carboxylic acid;tert-butyl N-(6-bromo-2-methyl-3-pyridinyl)carbamate;[(1R)-1-(2-chloro-3-pyridinyl)ethyl] 2-[3-ethyl-5-[5-(methanesulfonamido)-6-methyl-2-pyridinyl]triazol-4-yl]acetate;[(1R)-1-(2-chloro-3-pyridinyl)ethyl] 2-[3-ethyl-5-[6-methyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]-2-pyridinyl]triazol-4-yl]acetate;3-ethyl-5-[6-methyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]-2-pyridinyl]triazole-4-carboxylic acid (PubChem CID 159279974) has the molecular formula C76H94Br2Cl2N22O16S and a molecular weight of 1834.51 g/mol. Its IUPAC name is 5-bromo-3-ethyltriazole-4-carboxylic acid;tert-butyl N-(6-bromo-2-methyl-3-pyridinyl)carbamate;[(1R)-1-(2-chloro-3-pyridinyl)ethyl] 2-[3-ethyl-5-[5-(methanesulfonamido)-6-methyl-2-pyridinyl]triazol-4-yl]acetate;[(1R)-1-(2-chloro-3-pyridinyl)ethyl] 2-[3-ethyl-5-[6-methyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]-2-pyridinyl]triazol-4-yl]acetate;3-ethyl-5-[6-methyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]-2-pyridinyl]triazole-4-carboxylic acid.

Molecular Properties

• Compound Name: 5-bromo-3-ethyltriazole-4-carboxylic acid;tert-butyl N-(6-bromo-2-methyl-3-pyridinyl)carbamate;[(1R)-1-(2-chloro-3-pyridinyl)ethyl] 2-[3-ethyl-5-[5-(methanesulfonamido)-6-methyl-2-pyridinyl]triazol-4-yl]acetate;[(1R)-1-(2-chloro-3-pyridinyl)ethyl] 2-[3-ethyl-5-[6-methyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]-2-pyridinyl]triazol-4-yl]acetate;3-ethyl-5-[6-methyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]-2-pyridinyl]triazole-4-carboxylic acid
• PubChem CID: 159279974
• Molecular Formula: C76H94Br2Cl2N22O16S
• Molecular Weight: 1834.51 g/mol
• Exact Mass: 1830.47
• IUPAC Name: 5-bromo-3-ethyltriazole-4-carboxylic acid;tert-butyl N-(6-bromo-2-methyl-3-pyridinyl)carbamate;[(1R)-1-(2-chloro-3-pyridinyl)ethyl] 2-[3-ethyl-5-[5-(methanesulfonamido)-6-methyl-2-pyridinyl]triazol-4-yl]acetate;[(1R)-1-(2-chloro-3-pyridinyl)ethyl] 2-[3-ethyl-5-[6-methyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]-2-pyridinyl]triazol-4-yl]acetate;3-ethyl-5-[6-methyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]-2-pyridinyl]triazole-4-carboxylic acid
• SMILES: CCn1nnc(-c2ccc(NC(=O)OC(C)(C)C)c(C)n2)c1C(=O)O.CCn1nnc(-c2ccc(NC(=O)OC(C)(C)C)c(C)n2)c1CC(=O)O[C@H](C)c1cccnc1Cl.CCn1nnc(-c2ccc(NS(C)(=O)=O)c(C)n2)c1CC(=O)O[C@H](C)c1cccnc1Cl.CCn1nnc(Br)c1C(=O)O.Cc1nc(Br)ccc1NC(=O)OC(C)(C)C
• InChI: InChI=1S/C24H29ClN6O4.C20H23ClN6O4S.C16H21N5O4.C11H15BrN2O2.C5H6BrN3O2/c1-7-31-19(13-20(32)34-15(3)16-9-8-12-26-22(16)25)21(29-30-31)18-11-10-17(14(2)27-18)28-23(33)35-24(4,5)6;1-5-27-17(11-18(28)31-13(3)14-7-6-10-22-20(14)21)19(24-26-27)16-9-8-15(12(2)23-16)25-32(4,29)30;1-6-21-13(14(22)23)12(19-20-21)11-8-7-10(9(2)17-11)18-15(24)25-16(3,4)5;1-7-8(5-6-9(12)13-7)14-10(15)16-11(2,3)4;1-2-9-3(5(10)11)4(6)7-8-9/h8-12,15H,7,13H2,1-6H3,(H,28,33);6-10,13,25H,5,11H2,1-4H3;7-8H,6H2,1-5H3,(H,18,24)(H,22,23);5-6H,1-4H3,(H,14,15);2H2,1H3,(H,10,11)/t15-;13-;;;/m11.../s1
• InChIKey: KYUCGJLDGJRVJY-BQKQDRSLSA-N
• XLogP: 14.82
• TPSA: 488.54 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 32
• Rotatable Bonds: 22
• Heavy Atoms: 119
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1834.51
LogP ≤ 5	14.82
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	32

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 5-bromo-3-ethyltriazole-4-carboxylic acid;tert-butyl N-(6-bromo-2-methyl-3-pyridinyl)carbamate;[(1R)-1-(2-chloro-3-pyridinyl)ethyl] 2-[3-ethyl-5-[5-(methanesulfonamido)-6-methyl-2-pyridinyl]triazol-4-yl]acetate;[(1R)-1-(2-chloro-3-pyridinyl)ethyl] 2-[3-ethyl-5-[6-methyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]-2-pyridinyl]triazol-4-yl]acetate;3-ethyl-5-[6-methyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]-2-pyridinyl]triazole-4-carboxylic acid?

The IUPAC name of 5-bromo-3-ethyltriazole-4-carboxylic acid;tert-butyl N-(6-bromo-2-methyl-3-pyridinyl)carbamate;[(1R)-1-(2-chloro-3-pyridinyl)ethyl] 2-[3-ethyl-5-[5-(methanesulfonamido)-6-methyl-2-pyridinyl]triazol-4-yl]acetate;[(1R)-1-(2-chloro-3-pyridinyl)ethyl] 2-[3-ethyl-5-[6-methyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]-2-pyridinyl]triazol-4-yl]acetate;3-ethyl-5-[6-methyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]-2-pyridinyl]triazole-4-carboxylic acid (CID 159279974) is 5-bromo-3-ethyltriazole-4-carboxylic acid;tert-butyl N-(6-bromo-2-methyl-3-pyridinyl)carbamate;[(1R)-1-(2-chloro-3-pyridinyl)ethyl] 2-[3-ethyl-5-[5-(methanesulfonamido)-6-methyl-2-pyridinyl]triazol-4-yl]acetate;[(1R)-1-(2-chloro-3-pyridinyl)ethyl] 2-[3-ethyl-5-[6-methyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]-2-pyridinyl]triazol-4-yl]acetate;3-ethyl-5-[6-methyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]-2-pyridinyl]triazole-4-carboxylic acid.

What is the SMILES notation for 5-bromo-3-ethyltriazole-4-carboxylic acid;tert-butyl N-(6-bromo-2-methyl-3-pyridinyl)carbamate;[(1R)-1-(2-chloro-3-pyridinyl)ethyl] 2-[3-ethyl-5-[5-(methanesulfonamido)-6-methyl-2-pyridinyl]triazol-4-yl]acetate;[(1R)-1-(2-chloro-3-pyridinyl)ethyl] 2-[3-ethyl-5-[6-methyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]-2-pyridinyl]triazol-4-yl]acetate;3-ethyl-5-[6-methyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]-2-pyridinyl]triazole-4-carboxylic acid?

The canonical SMILES for 5-bromo-3-ethyltriazole-4-carboxylic acid;tert-butyl N-(6-bromo-2-methyl-3-pyridinyl)carbamate;[(1R)-1-(2-chloro-3-pyridinyl)ethyl] 2-[3-ethyl-5-[5-(methanesulfonamido)-6-methyl-2-pyridinyl]triazol-4-yl]acetate;[(1R)-1-(2-chloro-3-pyridinyl)ethyl] 2-[3-ethyl-5-[6-methyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]-2-pyridinyl]triazol-4-yl]acetate;3-ethyl-5-[6-methyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]-2-pyridinyl]triazole-4-carboxylic acid is CCn1nnc(-c2ccc(NC(=O)OC(C)(C)C)c(C)n2)c1C(=O)O.CCn1nnc(-c2ccc(NC(=O)OC(C)(C)C)c(C)n2)c1CC(=O)O[C@H](C)c1cccnc1Cl.CCn1nnc(-c2ccc(NS(C)(=O)=O)c(C)n2)c1CC(=O)O[C@H](C)c1cccnc1Cl.CCn1nnc(Br)c1C(=O)O.Cc1nc(Br)ccc1NC(=O)OC(C)(C)C.

What is the InChIKey of 5-bromo-3-ethyltriazole-4-carboxylic acid;tert-butyl N-(6-bromo-2-methyl-3-pyridinyl)carbamate;[(1R)-1-(2-chloro-3-pyridinyl)ethyl] 2-[3-ethyl-5-[5-(methanesulfonamido)-6-methyl-2-pyridinyl]triazol-4-yl]acetate;[(1R)-1-(2-chloro-3-pyridinyl)ethyl] 2-[3-ethyl-5-[6-methyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]-2-pyridinyl]triazol-4-yl]acetate;3-ethyl-5-[6-methyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]-2-pyridinyl]triazole-4-carboxylic acid?

The InChIKey is KYUCGJLDGJRVJY-BQKQDRSLSA-N. The full InChI is InChI=1S/C24H29ClN6O4.C20H23ClN6O4S.C16H21N5O4.C11H15BrN2O2.C5H6BrN3O2/c1-7-31-19(13-20(32)34-15(3)16-9-8-12-26-22(16)25)21(29-30-31)18-11-10-17(14(2)27-18)28-23(33)35-24(4,5)6;1-5-27-17(11-18(28)31-13(3)14-7-6-10-22-20(14)21)19(24-26-27)16-9-8-15(12(2)23-16)25-32(4,29)30;1-6-21-13(14(22)23)12(19-20-21)11-8-7-10(9(2)17-11)18-15(24)25-16(3,4)5;1-7-8(5-6-9(12)13-7)14-10(15)16-11(2,3)4;1-2-9-3(5(10)11)4(6)7-8-9/h8-12,15H,7,13H2,1-6H3,(H,28,33);6-10,13,25H,5,11H2,1-4H3;7-8H,6H2,1-5H3,(H,18,24)(H,22,23);5-6H,1-4H3,(H,14,15);2H2,1H3,(H,10,11)/t15-;13-;;;/m11.../s1.

What are the key properties of 5-bromo-3-ethyltriazole-4-carboxylic acid;tert-butyl N-(6-bromo-2-methyl-3-pyridinyl)carbamate;[(1R)-1-(2-chloro-3-pyridinyl)ethyl] 2-[3-ethyl-5-[5-(methanesulfonamido)-6-methyl-2-pyridinyl]triazol-4-yl]acetate;[(1R)-1-(2-chloro-3-pyridinyl)ethyl] 2-[3-ethyl-5-[6-methyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]-2-pyridinyl]triazol-4-yl]acetate;3-ethyl-5-[6-methyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]-2-pyridinyl]triazole-4-carboxylic acid?

5-bromo-3-ethyltriazole-4-carboxylic acid;tert-butyl N-(6-bromo-2-methyl-3-pyridinyl)carbamate;[(1R)-1-(2-chloro-3-pyridinyl)ethyl] 2-[3-ethyl-5-[5-(methanesulfonamido)-6-methyl-2-pyridinyl]triazol-4-yl]acetate;[(1R)-1-(2-chloro-3-pyridinyl)ethyl] 2-[3-ethyl-5-[6-methyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]-2-pyridinyl]triazol-4-yl]acetate;3-ethyl-5-[6-methyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]-2-pyridinyl]triazole-4-carboxylic acid has a molecular weight of 1834.51 g/mol, XLogP of 14.82, 22 rotatable bonds, 6 hydrogen bond donors, and 32 hydrogen bond acceptors.

Where does this data come from?

All data for 5-bromo-3-ethyltriazole-4-carboxylic acid;tert-butyl N-(6-bromo-2-methyl-3-pyridinyl)carbamate;[(1R)-1-(2-chloro-3-pyridinyl)ethyl] 2-[3-ethyl-5-[5-(methanesulfonamido)-6-methyl-2-pyridinyl]triazol-4-yl]acetate;[(1R)-1-(2-chloro-3-pyridinyl)ethyl] 2-[3-ethyl-5-[6-methyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]-2-pyridinyl]triazol-4-yl]acetate;3-ethyl-5-[6-methyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]-2-pyridinyl]triazole-4-carboxylic acid is sourced from PubChem (CID 159279974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).