5-(5-bromo-2-pyridinyl)-3-methyltriazole-4-carboxylic acid;tert-butyl N-[6-[5-[[(1S)-2,2-difluoro-1-phenylethoxy]carbonylamino]-1-methyltriazol-4-yl]-3-pyridinyl]carbamate;[(1S)-2,2-difluoro-1-phenylethyl] N-[5-(5-amino-2-pyridinyl)-3-methyltriazol-4-yl]carbamate;[(1S)-2,2-difluoro-1-phenylethyl] N-[5-[5-(cyanomethylsulfonylamino)-2-pyridinyl]-3-methyltriazol-4-yl]carbamate;methyl 5-(5-bromo-2-pyridinyl)-3-methyltriazole-4-carboxylate;methyl 3-methyl-5-[5-[(2-methylpropan-2-yl)oxycarbonylamino]-2-pyridinyl]triazole-4-carboxylate;3-methyl-5-[5-[(2-methylpropan-2-yl)oxycarbonylamino]-2-pyridinyl]triazole-4-carboxylic acid;hydrochloride

C106H110Br2ClF6N37O22S — CID 161211007

IUPAC5-(5-bromo-2-pyridinyl)-3-methyltriazole-4-carboxylic acid;tert-butyl N-[6-[5-[[(1S)-2,2-difluoro-1-phenylethoxy]carbonylamino]-1-methyltriazol-4-yl]-3-pyridinyl]carbamate;[(1S)-2,2-difluoro-1-phenylethyl] N-[5-(5-amino-2-pyridinyl)-3-methyltriazol-4-yl]carbamate;[(1S)-2,2-difluoro-1-phenylethyl] N-[5-[5-(cyanomethylsulfonylamino)-2-pyridinyl]-3-methyltriazol-4-yl]carbamate;methyl 5-(5-bromo-2-pyridinyl)-3-methyltriazole-4-carboxylate;methyl 3-methyl-5-[5-[(2-methylpropan-2-yl)oxycarbonylamino]-2-pyridinyl]triazole-4-carboxylate;3-methyl-5-[5-[(2-methylpropan-2-yl)oxycarbonylamino]-2-pyridinyl]triazole-4-carboxylic acid;hydrochloride
SMILESCOC(=O)c1c(-c2ccc(Br)cn2)nnn1C.COC(=O)c1c(-c2ccc(NC(=O)OC(C)(C)C)cn2)nnn1C.Cl.Cn1nnc(-c2ccc(Br)cn2)c1C(=O)O.Cn1nnc(-c2ccc(N)cn2)c1NC(=O)O[C@@H](c1ccccc1)C(F)F.Cn1nnc(-c2ccc(NC(=O)OC(C)(C)C)cn2)c1C(=O)O.Cn1nnc(-c2ccc(NC(=O)OC(C)(C)C)cn2)c1NC(=O)O[C@@H](c1ccccc1)C(F)F.Cn1nnc(-c2ccc(NS(=O)(=O)CC#N)cn2)c1NC(=O)O[C@@H](c1ccccc1)C(F)F
InChIInChI=1S/C22H24F2N6O4.C19H17F2N7O4S.C17H16F2N6O2.C15H19N5O4.C14H17N5O4.C10H9BrN4O2.C9H7BrN4O2.ClH/c1-22(2,3)34-21(32)26-14-10-11-15(25-12-14)16-19(30(4)29-28-16)27-20(31)33-17(18(23)24)13-8-6-5-7-9-13;1-28-18(24-19(29)32-16(17(20)21)12-5-3-2-4-6-12)15(25-27-28)14-8-7-13(11-23-14)26-33(30,31)10-9-22;1-25-16(13(23-24-25)12-8-7-11(20)9-21-12)22-17(26)27-14(15(18)19)10-5-3-2-4-6-10;1-15(2,3)24-14(22)17-9-6-7-10(16-8-9)11-12(13(21)23-5)20(4)19-18-11;1-14(2,3)23-13(22)16-8-5-6-9(15-7-8)10-11(12(20)21)19(4)18-17-10;1-15-9(10(16)17-2)8(13-14-15)7-4-3-6(11)5-12-7;1-14-8(9(15)16)7(12-13-14)6-3-2-5(10)4-11-6;/h5-12,17-18H,1-4H3,(H,26,32)(H,27,31);2-8,11,16-17,26H,10H2,1H3,(H,24,29);2-9,14-15H,20H2,1H3,(H,22,26);6-8H,1-5H3,(H,17,22);5-7H,1-4H3,(H,16,22)(H,20,21);3-5H,1-2H3;2-4H,1H3,(H,15,16);1H/t17-;16-;14-;;;;;/m000...../s1
InChIKeyXAXPTVSMRYYYDM-AMELYKCGSA-N
MW2595.60 g/mol
LogP17.61
Rot. Bonds29

About 5-(5-bromo-2-pyridinyl)-3-methyltriazole-4-carboxylic acid;tert-butyl N-[6-[5-[[(1S)-2,2-difluoro-1-phenylethoxy]carbonylamino]-1-methyltriazol-4-yl]-3-pyridinyl]carbamate;[(1S)-2,2-difluoro-1-phenylethyl] N-[5-(5-amino-2-pyridinyl)-3-methyltriazol-4-yl]carbamate;[(1S)-2,2-difluoro-1-phenylethyl] N-[5-[5-(cyanomethylsulfonylamino)-2-pyridinyl]-3-methyltriazol-4-yl]carbamate;methyl 5-(5-bromo-2-pyridinyl)-3-methyltriazole-4-carboxylate;methyl 3-methyl-5-[5-[(2-methylpropan-2-yl)oxycarbonylamino]-2-pyridinyl]triazole-4-carboxylate;3-methyl-5-[5-[(2-methylpropan-2-yl)oxycarbonylamino]-2-pyridinyl]triazole-4-carboxylic acid;hydrochloride

5-(5-bromo-2-pyridinyl)-3-methyltriazole-4-carboxylic acid;tert-butyl N-[6-[5-[[(1S)-2,2-difluoro-1-phenylethoxy]carbonylamino]-1-methyltriazol-4-yl]-3-pyridinyl]carbamate;[(1S)-2,2-difluoro-1-phenylethyl] N-[5-(5-amino-2-pyridinyl)-3-methyltriazol-4-yl]carbamate;[(1S)-2,2-difluoro-1-phenylethyl] N-[5-[5-(cyanomethylsulfonylamino)-2-pyridinyl]-3-methyltriazol-4-yl]carbamate;methyl 5-(5-bromo-2-pyridinyl)-3-methyltriazole-4-carboxylate;methyl 3-methyl-5-[5-[(2-methylpropan-2-yl)oxycarbonylamino]-2-pyridinyl]triazole-4-carboxylate;3-methyl-5-[5-[(2-methylpropan-2-yl)oxycarbonylamino]-2-pyridinyl]triazole-4-carboxylic acid;hydrochloride (PubChem CID 161211007) has the molecular formula C106H110Br2ClF6N37O22S and a molecular weight of 2595.60 g/mol. Its IUPAC name is 5-(5-bromo-2-pyridinyl)-3-methyltriazole-4-carboxylic acid;tert-butyl N-[6-[5-[[(1S)-2,2-difluoro-1-phenylethoxy]carbonylamino]-1-methyltriazol-4-yl]-3-pyridinyl]carbamate;[(1S)-2,2-difluoro-1-phenylethyl] N-[5-(5-amino-2-pyridinyl)-3-methyltriazol-4-yl]carbamate;[(1S)-2,2-difluoro-1-phenylethyl] N-[5-[5-(cyanomethylsulfonylamino)-2-pyridinyl]-3-methyltriazol-4-yl]carbamate;methyl 5-(5-bromo-2-pyridinyl)-3-methyltriazole-4-carboxylate;methyl 3-methyl-5-[5-[(2-methylpropan-2-yl)oxycarbonylamino]-2-pyridinyl]triazole-4-carboxylate;3-methyl-5-[5-[(2-methylpropan-2-yl)oxycarbonylamino]-2-pyridinyl]triazole-4-carboxylic acid;hydrochloride.

Molecular Properties

Compound Name5-(5-bromo-2-pyridinyl)-3-methyltriazole-4-carboxylic acid;tert-butyl N-[6-[5-[[(1S)-2,2-difluoro-1-phenylethoxy]carbonylamino]-1-methyltriazol-4-yl]-3-pyridinyl]carbamate;[(1S)-2,2-difluoro-1-phenylethyl] N-[5-(5-amino-2-pyridinyl)-3-methyltriazol-4-yl]carbamate;[(1S)-2,2-difluoro-1-phenylethyl] N-[5-[5-(cyanomethylsulfonylamino)-2-pyridinyl]-3-methyltriazol-4-yl]carbamate;methyl 5-(5-bromo-2-pyridinyl)-3-methyltriazole-4-carboxylate;methyl 3-methyl-5-[5-[(2-methylpropan-2-yl)oxycarbonylamino]-2-pyridinyl]triazole-4-carboxylate;3-methyl-5-[5-[(2-methylpropan-2-yl)oxycarbonylamino]-2-pyridinyl]triazole-4-carboxylic acid;hydrochloride
PubChem CID161211007
Molecular FormulaC106H110Br2ClF6N37O22S
Molecular Weight2595.60 g/mol
Exact Mass2591.63
IUPAC Name5-(5-bromo-2-pyridinyl)-3-methyltriazole-4-carboxylic acid;tert-butyl N-[6-[5-[[(1S)-2,2-difluoro-1-phenylethoxy]carbonylamino]-1-methyltriazol-4-yl]-3-pyridinyl]carbamate;[(1S)-2,2-difluoro-1-phenylethyl] N-[5-(5-amino-2-pyridinyl)-3-methyltriazol-4-yl]carbamate;[(1S)-2,2-difluoro-1-phenylethyl] N-[5-[5-(cyanomethylsulfonylamino)-2-pyridinyl]-3-methyltriazol-4-yl]carbamate;methyl 5-(5-bromo-2-pyridinyl)-3-methyltriazole-4-carboxylate;methyl 3-methyl-5-[5-[(2-methylpropan-2-yl)oxycarbonylamino]-2-pyridinyl]triazole-4-carboxylate;3-methyl-5-[5-[(2-methylpropan-2-yl)oxycarbonylamino]-2-pyridinyl]triazole-4-carboxylic acid;hydrochloride
SMILESCOC(=O)c1c(-c2ccc(Br)cn2)nnn1C.COC(=O)c1c(-c2ccc(NC(=O)OC(C)(C)C)cn2)nnn1C.Cl.Cn1nnc(-c2ccc(Br)cn2)c1C(=O)O.Cn1nnc(-c2ccc(N)cn2)c1NC(=O)O[C@@H](c1ccccc1)C(F)F.Cn1nnc(-c2ccc(NC(=O)OC(C)(C)C)cn2)c1C(=O)O.Cn1nnc(-c2ccc(NC(=O)OC(C)(C)C)cn2)c1NC(=O)O[C@@H](c1ccccc1)C(F)F.Cn1nnc(-c2ccc(NS(=O)(=O)CC#N)cn2)c1NC(=O)O[C@@H](c1ccccc1)C(F)F
InChIInChI=1S/C22H24F2N6O4.C19H17F2N7O4S.C17H16F2N6O2.C15H19N5O4.C14H17N5O4.C10H9BrN4O2.C9H7BrN4O2.ClH/c1-22(2,3)34-21(32)26-14-10-11-15(25-12-14)16-19(30(4)29-28-16)27-20(31)33-17(18(23)24)13-8-6-5-7-9-13;1-28-18(24-19(29)32-16(17(20)21)12-5-3-2-4-6-12)15(25-27-28)14-8-7-13(11-23-14)26-33(30,31)10-9-22;1-25-16(13(23-24-25)12-8-7-11(20)9-21-12)22-17(26)27-14(15(18)19)10-5-3-2-4-6-10;1-15(2,3)24-14(22)17-9-6-7-10(16-8-9)11-12(13(21)23-5)20(4)19-18-11;1-14(2,3)23-13(22)16-8-5-6-9(15-7-8)10-11(12(20)21)19(4)18-17-10;1-15-9(10(16)17-2)8(13-14-15)7-4-3-6(11)5-12-7;1-14-8(9(15)16)7(12-13-14)6-3-2-5(10)4-11-6;/h5-12,17-18H,1-4H3,(H,26,32)(H,27,31);2-8,11,16-17,26H,10H2,1H3,(H,24,29);2-9,14-15H,20H2,1H3,(H,22,26);6-8H,1-5H3,(H,17,22);5-7H,1-4H3,(H,16,22)(H,20,21);3-5H,1-2H3;2-4H,1H3,(H,15,16);1H/t17-;16-;14-;;;;;/m000...../s1
InChIKeyXAXPTVSMRYYYDM-AMELYKCGSA-N
XLogP17.61
TPSA758.36 Ų
H-Bond Donors10
H-Bond Acceptors50
Rotatable Bonds29
Heavy Atoms175
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002595.60
LogP ≤ 517.61
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1050

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}

Analyze 5-(5-bromo-2-pyridinyl)-3-methyltriazole-4-carboxylic acid;tert-butyl N-[6-[5-[[(1S)-2,2-difluoro-1-phenylethoxy]carbonylamino]-1-methyltriazol-4-yl]-3-pyridinyl]carbamate;[(1S)-2,2-difluoro-1-phenylethyl] N-[5-(5-amino-2-pyridinyl)-3-methyltriazol-4-yl]carbamate;[(1S)-2,2-difluoro-1-phenylethyl] N-[5-[5-(cyanomethylsulfonylamino)-2-pyridinyl]-3-methyltriazol-4-yl]carbamate;methyl 5-(5-bromo-2-pyridinyl)-3-methyltriazole-4-carboxylate;methyl 3-methyl-5-[5-[(2-methylpropan-2-yl)oxycarbonylamino]-2-pyridinyl]triazole-4-carboxylate;3-methyl-5-[5-[(2-methylpropan-2-yl)oxycarbonylamino]-2-pyridinyl]triazole-4-carboxylic acid;hydrochloride with MolForge

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Launch Full Analysis

Related Compounds

tert-butyl N-(6-bromo-3-pyridinyl)carbamate;tert-butyl N-[6-[5-[[(1R)-1-(2-chloro-3-pyridinyl)ethoxy]carbonylamino]-1-methyltriazol-4-yl]-3-pyridinyl]carbamate;[(1R)-1-(2-chloro-3-pyridinyl)ethyl] N-[5-(5-amino-2-pyridinyl)-3-methyltriazol-4-yl]carbamate;3-methyl-5-[5-[(2-methylpropan-2-yl)oxycarbonylamino]-2-pyridinyl]triazole-4-carboxylic acid
CID 157688471
5-(5-bromo-6-methyl-2-pyridinyl)-3-methyltriazole-4-carboxylic acid;(1R)-1-(2,3-difluorophenyl)ethanol;[(1R)-1-(2,3-difluorophenyl)ethyl] N-[5-(5-bromo-6-methyl-2-pyridinyl)-3-methyltriazol-4-yl]carbamate;[(1R)-1-(2,3-difluorophenyl)ethyl] N-[5-[5-(methanesulfonamido)-6-methyl-2-pyridinyl]-3-methyltriazol-4-yl]carbamate
CID 159074741
5-(5-Bromo-2-pyridinyl)-3-methyltriazole-4-carboxylic acid;5-[5-(methanesulfonamido)-2-pyridinyl]-3-methyltriazole-4-carboxylic acid;methyl 5-(5-amino-2-pyridinyl)-3-methyltriazole-4-carboxylate;methyl 5-(5-bromo-2-pyridinyl)-3-methyltriazole-4-carboxylate;methyl 3-methyl-5-[5-[(2-methylpropan-2-yl)oxycarbonylamino]-2-pyridinyl]triazole-4-carboxylate;hydrochloride
CID 160634205
(3-amino-6-bromo-2-pyridinyl)methanol;(3-amino-2-pyridinyl)methanol;6-bromo-2-(methoxymethyl)pyridin-3-amine;N-[6-bromo-2-(methoxymethyl)-3-pyridinyl]methanesulfonamide;5-bromo-3-methyltriazole-4-carboxylic acid;(1R)-1-(2-chloro-5-fluoro-3-pyridinyl)ethanol;[(1R)-1-(2-chloro-5-fluoro-3-pyridinyl)ethyl] N-[5-[5-(methanesulfonamido)-6-(methoxymethyl)-2-pyridinyl]-3-methyltriazol-4-yl]carbamate;5-[5-(methanesulfonamido)-6-(methoxymethyl)-2-pyridinyl]-3-methyltriazole-4-carboxylic acid
CID 160909047
tert-butyl N-(6-bromo-2-methyl-3-pyridinyl)carbamate;tert-butyl N-[6-[5-[[(1R)-1-(3-fluorophenyl)ethoxy]carbonylamino]-1-methylpyrazol-4-yl]-2-methyl-3-pyridinyl]carbamate;(1R)-1-(3-fluorophenyl)ethanol;[(1R)-1-(3-fluorophenyl)ethyl] N-[4-(5-amino-6-methyl-2-pyridinyl)-1-methylpyrazol-5-yl]carbamate;[(1R)-1-(3-fluorophenyl)ethyl] N-[4-[5-(methanesulfonamido)-6-methyl-2-pyridinyl]-1-methylpyrazol-5-yl]carbamate;methyl 4-(5,5-dimethyl-1,3,2-dioxaborinan-2-yl)-1-methylpyrazole-5-carboxylate;methyl 1-methyl-4-[6-methyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]-2-pyridinyl]pyrazole-5-carboxylate;1-methyl-4-[6-methyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]-2-pyridinyl]pyrazole-5-carboxylic acid;hydrochloride
CID 167562283

Frequently Asked Questions

What is the IUPAC name of 5-(5-bromo-2-pyridinyl)-3-methyltriazole-4-carboxylic acid;tert-butyl N-[6-[5-[[(1S)-2,2-difluoro-1-phenylethoxy]carbonylamino]-1-methyltriazol-4-yl]-3-pyridinyl]carbamate;[(1S)-2,2-difluoro-1-phenylethyl] N-[5-(5-amino-2-pyridinyl)-3-methyltriazol-4-yl]carbamate;[(1S)-2,2-difluoro-1-phenylethyl] N-[5-[5-(cyanomethylsulfonylamino)-2-pyridinyl]-3-methyltriazol-4-yl]carbamate;methyl 5-(5-bromo-2-pyridinyl)-3-methyltriazole-4-carboxylate;methyl 3-methyl-5-[5-[(2-methylpropan-2-yl)oxycarbonylamino]-2-pyridinyl]triazole-4-carboxylate;3-methyl-5-[5-[(2-methylpropan-2-yl)oxycarbonylamino]-2-pyridinyl]triazole-4-carboxylic acid;hydrochloride?
The IUPAC name of 5-(5-bromo-2-pyridinyl)-3-methyltriazole-4-carboxylic acid;tert-butyl N-[6-[5-[[(1S)-2,2-difluoro-1-phenylethoxy]carbonylamino]-1-methyltriazol-4-yl]-3-pyridinyl]carbamate;[(1S)-2,2-difluoro-1-phenylethyl] N-[5-(5-amino-2-pyridinyl)-3-methyltriazol-4-yl]carbamate;[(1S)-2,2-difluoro-1-phenylethyl] N-[5-[5-(cyanomethylsulfonylamino)-2-pyridinyl]-3-methyltriazol-4-yl]carbamate;methyl 5-(5-bromo-2-pyridinyl)-3-methyltriazole-4-carboxylate;methyl 3-methyl-5-[5-[(2-methylpropan-2-yl)oxycarbonylamino]-2-pyridinyl]triazole-4-carboxylate;3-methyl-5-[5-[(2-methylpropan-2-yl)oxycarbonylamino]-2-pyridinyl]triazole-4-carboxylic acid;hydrochloride (CID 161211007) is 5-(5-bromo-2-pyridinyl)-3-methyltriazole-4-carboxylic acid;tert-butyl N-[6-[5-[[(1S)-2,2-difluoro-1-phenylethoxy]carbonylamino]-1-methyltriazol-4-yl]-3-pyridinyl]carbamate;[(1S)-2,2-difluoro-1-phenylethyl] N-[5-(5-amino-2-pyridinyl)-3-methyltriazol-4-yl]carbamate;[(1S)-2,2-difluoro-1-phenylethyl] N-[5-[5-(cyanomethylsulfonylamino)-2-pyridinyl]-3-methyltriazol-4-yl]carbamate;methyl 5-(5-bromo-2-pyridinyl)-3-methyltriazole-4-carboxylate;methyl 3-methyl-5-[5-[(2-methylpropan-2-yl)oxycarbonylamino]-2-pyridinyl]triazole-4-carboxylate;3-methyl-5-[5-[(2-methylpropan-2-yl)oxycarbonylamino]-2-pyridinyl]triazole-4-carboxylic acid;hydrochloride.
What is the SMILES notation for 5-(5-bromo-2-pyridinyl)-3-methyltriazole-4-carboxylic acid;tert-butyl N-[6-[5-[[(1S)-2,2-difluoro-1-phenylethoxy]carbonylamino]-1-methyltriazol-4-yl]-3-pyridinyl]carbamate;[(1S)-2,2-difluoro-1-phenylethyl] N-[5-(5-amino-2-pyridinyl)-3-methyltriazol-4-yl]carbamate;[(1S)-2,2-difluoro-1-phenylethyl] N-[5-[5-(cyanomethylsulfonylamino)-2-pyridinyl]-3-methyltriazol-4-yl]carbamate;methyl 5-(5-bromo-2-pyridinyl)-3-methyltriazole-4-carboxylate;methyl 3-methyl-5-[5-[(2-methylpropan-2-yl)oxycarbonylamino]-2-pyridinyl]triazole-4-carboxylate;3-methyl-5-[5-[(2-methylpropan-2-yl)oxycarbonylamino]-2-pyridinyl]triazole-4-carboxylic acid;hydrochloride?
The canonical SMILES for 5-(5-bromo-2-pyridinyl)-3-methyltriazole-4-carboxylic acid;tert-butyl N-[6-[5-[[(1S)-2,2-difluoro-1-phenylethoxy]carbonylamino]-1-methyltriazol-4-yl]-3-pyridinyl]carbamate;[(1S)-2,2-difluoro-1-phenylethyl] N-[5-(5-amino-2-pyridinyl)-3-methyltriazol-4-yl]carbamate;[(1S)-2,2-difluoro-1-phenylethyl] N-[5-[5-(cyanomethylsulfonylamino)-2-pyridinyl]-3-methyltriazol-4-yl]carbamate;methyl 5-(5-bromo-2-pyridinyl)-3-methyltriazole-4-carboxylate;methyl 3-methyl-5-[5-[(2-methylpropan-2-yl)oxycarbonylamino]-2-pyridinyl]triazole-4-carboxylate;3-methyl-5-[5-[(2-methylpropan-2-yl)oxycarbonylamino]-2-pyridinyl]triazole-4-carboxylic acid;hydrochloride is COC(=O)c1c(-c2ccc(Br)cn2)nnn1C.COC(=O)c1c(-c2ccc(NC(=O)OC(C)(C)C)cn2)nnn1C.Cl.Cn1nnc(-c2ccc(Br)cn2)c1C(=O)O.Cn1nnc(-c2ccc(N)cn2)c1NC(=O)O[C@@H](c1ccccc1)C(F)F.Cn1nnc(-c2ccc(NC(=O)OC(C)(C)C)cn2)c1C(=O)O.Cn1nnc(-c2ccc(NC(=O)OC(C)(C)C)cn2)c1NC(=O)O[C@@H](c1ccccc1)C(F)F.Cn1nnc(-c2ccc(NS(=O)(=O)CC#N)cn2)c1NC(=O)O[C@@H](c1ccccc1)C(F)F.
What is the InChIKey of 5-(5-bromo-2-pyridinyl)-3-methyltriazole-4-carboxylic acid;tert-butyl N-[6-[5-[[(1S)-2,2-difluoro-1-phenylethoxy]carbonylamino]-1-methyltriazol-4-yl]-3-pyridinyl]carbamate;[(1S)-2,2-difluoro-1-phenylethyl] N-[5-(5-amino-2-pyridinyl)-3-methyltriazol-4-yl]carbamate;[(1S)-2,2-difluoro-1-phenylethyl] N-[5-[5-(cyanomethylsulfonylamino)-2-pyridinyl]-3-methyltriazol-4-yl]carbamate;methyl 5-(5-bromo-2-pyridinyl)-3-methyltriazole-4-carboxylate;methyl 3-methyl-5-[5-[(2-methylpropan-2-yl)oxycarbonylamino]-2-pyridinyl]triazole-4-carboxylate;3-methyl-5-[5-[(2-methylpropan-2-yl)oxycarbonylamino]-2-pyridinyl]triazole-4-carboxylic acid;hydrochloride?
The InChIKey is XAXPTVSMRYYYDM-AMELYKCGSA-N. The full InChI is InChI=1S/C22H24F2N6O4.C19H17F2N7O4S.C17H16F2N6O2.C15H19N5O4.C14H17N5O4.C10H9BrN4O2.C9H7BrN4O2.ClH/c1-22(2,3)34-21(32)26-14-10-11-15(25-12-14)16-19(30(4)29-28-16)27-20(31)33-17(18(23)24)13-8-6-5-7-9-13;1-28-18(24-19(29)32-16(17(20)21)12-5-3-2-4-6-12)15(25-27-28)14-8-7-13(11-23-14)26-33(30,31)10-9-22;1-25-16(13(23-24-25)12-8-7-11(20)9-21-12)22-17(26)27-14(15(18)19)10-5-3-2-4-6-10;1-15(2,3)24-14(22)17-9-6-7-10(16-8-9)11-12(13(21)23-5)20(4)19-18-11;1-14(2,3)23-13(22)16-8-5-6-9(15-7-8)10-11(12(20)21)19(4)18-17-10;1-15-9(10(16)17-2)8(13-14-15)7-4-3-6(11)5-12-7;1-14-8(9(15)16)7(12-13-14)6-3-2-5(10)4-11-6;/h5-12,17-18H,1-4H3,(H,26,32)(H,27,31);2-8,11,16-17,26H,10H2,1H3,(H,24,29);2-9,14-15H,20H2,1H3,(H,22,26);6-8H,1-5H3,(H,17,22);5-7H,1-4H3,(H,16,22)(H,20,21);3-5H,1-2H3;2-4H,1H3,(H,15,16);1H/t17-;16-;14-;;;;;/m000...../s1.
What are the key properties of 5-(5-bromo-2-pyridinyl)-3-methyltriazole-4-carboxylic acid;tert-butyl N-[6-[5-[[(1S)-2,2-difluoro-1-phenylethoxy]carbonylamino]-1-methyltriazol-4-yl]-3-pyridinyl]carbamate;[(1S)-2,2-difluoro-1-phenylethyl] N-[5-(5-amino-2-pyridinyl)-3-methyltriazol-4-yl]carbamate;[(1S)-2,2-difluoro-1-phenylethyl] N-[5-[5-(cyanomethylsulfonylamino)-2-pyridinyl]-3-methyltriazol-4-yl]carbamate;methyl 5-(5-bromo-2-pyridinyl)-3-methyltriazole-4-carboxylate;methyl 3-methyl-5-[5-[(2-methylpropan-2-yl)oxycarbonylamino]-2-pyridinyl]triazole-4-carboxylate;3-methyl-5-[5-[(2-methylpropan-2-yl)oxycarbonylamino]-2-pyridinyl]triazole-4-carboxylic acid;hydrochloride?
5-(5-bromo-2-pyridinyl)-3-methyltriazole-4-carboxylic acid;tert-butyl N-[6-[5-[[(1S)-2,2-difluoro-1-phenylethoxy]carbonylamino]-1-methyltriazol-4-yl]-3-pyridinyl]carbamate;[(1S)-2,2-difluoro-1-phenylethyl] N-[5-(5-amino-2-pyridinyl)-3-methyltriazol-4-yl]carbamate;[(1S)-2,2-difluoro-1-phenylethyl] N-[5-[5-(cyanomethylsulfonylamino)-2-pyridinyl]-3-methyltriazol-4-yl]carbamate;methyl 5-(5-bromo-2-pyridinyl)-3-methyltriazole-4-carboxylate;methyl 3-methyl-5-[5-[(2-methylpropan-2-yl)oxycarbonylamino]-2-pyridinyl]triazole-4-carboxylate;3-methyl-5-[5-[(2-methylpropan-2-yl)oxycarbonylamino]-2-pyridinyl]triazole-4-carboxylic acid;hydrochloride has a molecular weight of 2595.60 g/mol, XLogP of 17.61, 29 rotatable bonds, 10 hydrogen bond donors, and 50 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-bromo-2-pyridinyl)-3-methyltriazole-4-carboxylic acid;tert-butyl N-[6-[5-[[(1S)-2,2-difluoro-1-phenylethoxy]carbonylamino]-1-methyltriazol-4-yl]-3-pyridinyl]carbamate;[(1S)-2,2-difluoro-1-phenylethyl] N-[5-(5-amino-2-pyridinyl)-3-methyltriazol-4-yl]carbamate;[(1S)-2,2-difluoro-1-phenylethyl] N-[5-[5-(cyanomethylsulfonylamino)-2-pyridinyl]-3-methyltriazol-4-yl]carbamate;methyl 5-(5-bromo-2-pyridinyl)-3-methyltriazole-4-carboxylate;methyl 3-methyl-5-[5-[(2-methylpropan-2-yl)oxycarbonylamino]-2-pyridinyl]triazole-4-carboxylate;3-methyl-5-[5-[(2-methylpropan-2-yl)oxycarbonylamino]-2-pyridinyl]triazole-4-carboxylic acid;hydrochloride is sourced from PubChem (CID 161211007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).