5-(5-bromo-6-methyl-2-pyridinyl)-3-methyltriazole-4-carboxylic acid;5-[5-(methanesulfonamido)-6-methyl-2-pyridinyl]-3-methyltriazole-4-carboxylic acid;methyl 5-(5-bromo-6-methyl-2-pyridinyl)-3-methyltriazole-4-carboxylate;methyl 5-[5-(methanesulfonamido)-6-methyl-2-pyridinyl]-3-methyltriazole-4-carboxylate

C44H48Br2N18O12S2 — CID 159449079

IUPAC5-(5-bromo-6-methyl-2-pyridinyl)-3-methyltriazole-4-carboxylic acid;5-[5-(methanesulfonamido)-6-methyl-2-pyridinyl]-3-methyltriazole-4-carboxylic acid;methyl 5-(5-bromo-6-methyl-2-pyridinyl)-3-methyltriazole-4-carboxylate;methyl 5-[5-(methanesulfonamido)-6-methyl-2-pyridinyl]-3-methyltriazole-4-carboxylate
SMILESCOC(=O)c1c(-c2ccc(Br)c(C)n2)nnn1C.COC(=O)c1c(-c2ccc(NS(C)(=O)=O)c(C)n2)nnn1C.Cc1nc(-c2nnn(C)c2C(=O)O)ccc1Br.Cc1nc(-c2nnn(C)c2C(=O)O)ccc1NS(C)(=O)=O
InChIInChI=1S/C12H15N5O4S.C11H11BrN4O2.C11H13N5O4S.C10H9BrN4O2/c1-7-8(15-22(4,19)20)5-6-9(13-7)10-11(12(18)21-3)17(2)16-14-10;1-6-7(12)4-5-8(13-6)9-10(11(17)18-3)16(2)15-14-9;1-6-7(14-21(3,19)20)4-5-8(12-6)9-10(11(17)18)16(2)15-13-9;1-5-6(11)3-4-7(12-5)8-9(10(16)17)15(2)14-13-8/h5-6,15H,1-4H3;4-5H,1-3H3;4-5,14H,1-3H3,(H,17,18);3-4H,1-2H3,(H,16,17)
InChIKeyLTCZWIIUXAPLBF-UHFFFAOYSA-N
MW1244.92 g/mol
LogP3.98
Rot. Bonds12

About 5-(5-bromo-6-methyl-2-pyridinyl)-3-methyltriazole-4-carboxylic acid;5-[5-(methanesulfonamido)-6-methyl-2-pyridinyl]-3-methyltriazole-4-carboxylic acid;methyl 5-(5-bromo-6-methyl-2-pyridinyl)-3-methyltriazole-4-carboxylate;methyl 5-[5-(methanesulfonamido)-6-methyl-2-pyridinyl]-3-methyltriazole-4-carboxylate

5-(5-bromo-6-methyl-2-pyridinyl)-3-methyltriazole-4-carboxylic acid;5-[5-(methanesulfonamido)-6-methyl-2-pyridinyl]-3-methyltriazole-4-carboxylic acid;methyl 5-(5-bromo-6-methyl-2-pyridinyl)-3-methyltriazole-4-carboxylate;methyl 5-[5-(methanesulfonamido)-6-methyl-2-pyridinyl]-3-methyltriazole-4-carboxylate (PubChem CID 159449079) has the molecular formula C44H48Br2N18O12S2 and a molecular weight of 1244.92 g/mol. Its IUPAC name is 5-(5-bromo-6-methyl-2-pyridinyl)-3-methyltriazole-4-carboxylic acid;5-[5-(methanesulfonamido)-6-methyl-2-pyridinyl]-3-methyltriazole-4-carboxylic acid;methyl 5-(5-bromo-6-methyl-2-pyridinyl)-3-methyltriazole-4-carboxylate;methyl 5-[5-(methanesulfonamido)-6-methyl-2-pyridinyl]-3-methyltriazole-4-carboxylate.

Molecular Properties

Compound Name5-(5-bromo-6-methyl-2-pyridinyl)-3-methyltriazole-4-carboxylic acid;5-[5-(methanesulfonamido)-6-methyl-2-pyridinyl]-3-methyltriazole-4-carboxylic acid;methyl 5-(5-bromo-6-methyl-2-pyridinyl)-3-methyltriazole-4-carboxylate;methyl 5-[5-(methanesulfonamido)-6-methyl-2-pyridinyl]-3-methyltriazole-4-carboxylate
PubChem CID159449079
Molecular FormulaC44H48Br2N18O12S2
Molecular Weight1244.92 g/mol
Exact Mass1242.15
IUPAC Name5-(5-bromo-6-methyl-2-pyridinyl)-3-methyltriazole-4-carboxylic acid;5-[5-(methanesulfonamido)-6-methyl-2-pyridinyl]-3-methyltriazole-4-carboxylic acid;methyl 5-(5-bromo-6-methyl-2-pyridinyl)-3-methyltriazole-4-carboxylate;methyl 5-[5-(methanesulfonamido)-6-methyl-2-pyridinyl]-3-methyltriazole-4-carboxylate
SMILESCOC(=O)c1c(-c2ccc(Br)c(C)n2)nnn1C.COC(=O)c1c(-c2ccc(NS(C)(=O)=O)c(C)n2)nnn1C.Cc1nc(-c2nnn(C)c2C(=O)O)ccc1Br.Cc1nc(-c2nnn(C)c2C(=O)O)ccc1NS(C)(=O)=O
InChIInChI=1S/C12H15N5O4S.C11H11BrN4O2.C11H13N5O4S.C10H9BrN4O2/c1-7-8(15-22(4,19)20)5-6-9(13-7)10-11(12(18)21-3)17(2)16-14-10;1-6-7(12)4-5-8(13-6)9-10(11(17)18-3)16(2)15-14-9;1-6-7(14-21(3,19)20)4-5-8(12-6)9-10(11(17)18)16(2)15-13-9;1-5-6(11)3-4-7(12-5)8-9(10(16)17)15(2)14-13-8/h5-6,15H,1-4H3;4-5H,1-3H3;4-5,14H,1-3H3,(H,17,18);3-4H,1-2H3,(H,16,17)
InChIKeyLTCZWIIUXAPLBF-UHFFFAOYSA-N
XLogP3.98
TPSA393.94 Ų
H-Bond Donors4
H-Bond Acceptors26
Rotatable Bonds12
Heavy Atoms78
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001244.92
LogP ≤ 53.98
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1026

Analyze 5-(5-bromo-6-methyl-2-pyridinyl)-3-methyltriazole-4-carboxylic acid;5-[5-(methanesulfonamido)-6-methyl-2-pyridinyl]-3-methyltriazole-4-carboxylic acid;methyl 5-(5-bromo-6-methyl-2-pyridinyl)-3-methyltriazole-4-carboxylate;methyl 5-[5-(methanesulfonamido)-6-methyl-2-pyridinyl]-3-methyltriazole-4-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(6-bromo-2-ethyl-3-pyridinyl)methanesulfonamide;N-(6-bromo-2-fluoro-3-pyridinyl)-N-methylsulfonylmethanesulfonamide;5-bromo-3-methyltriazole-4-carboxylic acid;5-[6-ethyl-5-(methanesulfonamido)-2-pyridinyl]-3-methyltriazole-4-carboxylic acid;[(1S)-2-fluoro-1-phenylethyl] 2-[5-[6-ethyl-5-(methanesulfonamido)-2-pyridinyl]-3-methyltriazol-4-yl]acetate
CID 159247182
Methyl 5-[5-(methanesulfonamido)-6-methyl-2-pyridinyl]-3-methyltriazole-4-carboxylate;methyl 3-methyl-5-[6-methyl-5-[methyl(methylsulfonyl)amino]-2-pyridinyl]triazole-4-carboxylate;3-methyl-5-[6-methyl-5-[methyl(methylsulfonyl)amino]-2-pyridinyl]triazole-4-carboxylic acid
CID 159643081
5-(5-bromo-6-methyl-2-pyridinyl)-3-methyltriazole-4-carboxylic acid;5-[6-(difluoromethyl)-5-(methanesulfonamido)-2-pyridinyl]-3-methyltriazole-4-carboxylic acid;methyl 5-[5-amino-6-(difluoromethyl)-2-pyridinyl]-3-methyltriazole-4-carboxylate;methyl 5-[5-bromo-6-(dibromomethyl)-2-pyridinyl]-3-methyltriazole-4-carboxylate;methyl 5-[5-bromo-6-(difluoromethyl)-2-pyridinyl]-3-methyltriazole-4-carboxylate;methyl 5-(5-bromo-6-formyl-2-pyridinyl)-3-methyltriazole-4-carboxylate;methyl 5-(5-bromo-6-methyl-2-pyridinyl)-3-methyltriazole-4-carboxylate;[(1R)-1-phenylethyl] 2-[5-[6-(difluoromethyl)-5-(methanesulfonamido)-2-pyridinyl]-3-methyltriazol-4-yl]acetate
CID 159664264
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

Frequently Asked Questions

What is the IUPAC name of 5-(5-bromo-6-methyl-2-pyridinyl)-3-methyltriazole-4-carboxylic acid;5-[5-(methanesulfonamido)-6-methyl-2-pyridinyl]-3-methyltriazole-4-carboxylic acid;methyl 5-(5-bromo-6-methyl-2-pyridinyl)-3-methyltriazole-4-carboxylate;methyl 5-[5-(methanesulfonamido)-6-methyl-2-pyridinyl]-3-methyltriazole-4-carboxylate?
The IUPAC name of 5-(5-bromo-6-methyl-2-pyridinyl)-3-methyltriazole-4-carboxylic acid;5-[5-(methanesulfonamido)-6-methyl-2-pyridinyl]-3-methyltriazole-4-carboxylic acid;methyl 5-(5-bromo-6-methyl-2-pyridinyl)-3-methyltriazole-4-carboxylate;methyl 5-[5-(methanesulfonamido)-6-methyl-2-pyridinyl]-3-methyltriazole-4-carboxylate (CID 159449079) is 5-(5-bromo-6-methyl-2-pyridinyl)-3-methyltriazole-4-carboxylic acid;5-[5-(methanesulfonamido)-6-methyl-2-pyridinyl]-3-methyltriazole-4-carboxylic acid;methyl 5-(5-bromo-6-methyl-2-pyridinyl)-3-methyltriazole-4-carboxylate;methyl 5-[5-(methanesulfonamido)-6-methyl-2-pyridinyl]-3-methyltriazole-4-carboxylate.
What is the SMILES notation for 5-(5-bromo-6-methyl-2-pyridinyl)-3-methyltriazole-4-carboxylic acid;5-[5-(methanesulfonamido)-6-methyl-2-pyridinyl]-3-methyltriazole-4-carboxylic acid;methyl 5-(5-bromo-6-methyl-2-pyridinyl)-3-methyltriazole-4-carboxylate;methyl 5-[5-(methanesulfonamido)-6-methyl-2-pyridinyl]-3-methyltriazole-4-carboxylate?
The canonical SMILES for 5-(5-bromo-6-methyl-2-pyridinyl)-3-methyltriazole-4-carboxylic acid;5-[5-(methanesulfonamido)-6-methyl-2-pyridinyl]-3-methyltriazole-4-carboxylic acid;methyl 5-(5-bromo-6-methyl-2-pyridinyl)-3-methyltriazole-4-carboxylate;methyl 5-[5-(methanesulfonamido)-6-methyl-2-pyridinyl]-3-methyltriazole-4-carboxylate is COC(=O)c1c(-c2ccc(Br)c(C)n2)nnn1C.COC(=O)c1c(-c2ccc(NS(C)(=O)=O)c(C)n2)nnn1C.Cc1nc(-c2nnn(C)c2C(=O)O)ccc1Br.Cc1nc(-c2nnn(C)c2C(=O)O)ccc1NS(C)(=O)=O.
What is the InChIKey of 5-(5-bromo-6-methyl-2-pyridinyl)-3-methyltriazole-4-carboxylic acid;5-[5-(methanesulfonamido)-6-methyl-2-pyridinyl]-3-methyltriazole-4-carboxylic acid;methyl 5-(5-bromo-6-methyl-2-pyridinyl)-3-methyltriazole-4-carboxylate;methyl 5-[5-(methanesulfonamido)-6-methyl-2-pyridinyl]-3-methyltriazole-4-carboxylate?
The InChIKey is LTCZWIIUXAPLBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5O4S.C11H11BrN4O2.C11H13N5O4S.C10H9BrN4O2/c1-7-8(15-22(4,19)20)5-6-9(13-7)10-11(12(18)21-3)17(2)16-14-10;1-6-7(12)4-5-8(13-6)9-10(11(17)18-3)16(2)15-14-9;1-6-7(14-21(3,19)20)4-5-8(12-6)9-10(11(17)18)16(2)15-13-9;1-5-6(11)3-4-7(12-5)8-9(10(16)17)15(2)14-13-8/h5-6,15H,1-4H3;4-5H,1-3H3;4-5,14H,1-3H3,(H,17,18);3-4H,1-2H3,(H,16,17).
What are the key properties of 5-(5-bromo-6-methyl-2-pyridinyl)-3-methyltriazole-4-carboxylic acid;5-[5-(methanesulfonamido)-6-methyl-2-pyridinyl]-3-methyltriazole-4-carboxylic acid;methyl 5-(5-bromo-6-methyl-2-pyridinyl)-3-methyltriazole-4-carboxylate;methyl 5-[5-(methanesulfonamido)-6-methyl-2-pyridinyl]-3-methyltriazole-4-carboxylate?
5-(5-bromo-6-methyl-2-pyridinyl)-3-methyltriazole-4-carboxylic acid;5-[5-(methanesulfonamido)-6-methyl-2-pyridinyl]-3-methyltriazole-4-carboxylic acid;methyl 5-(5-bromo-6-methyl-2-pyridinyl)-3-methyltriazole-4-carboxylate;methyl 5-[5-(methanesulfonamido)-6-methyl-2-pyridinyl]-3-methyltriazole-4-carboxylate has a molecular weight of 1244.92 g/mol, XLogP of 3.98, 12 rotatable bonds, 4 hydrogen bond donors, and 26 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-bromo-6-methyl-2-pyridinyl)-3-methyltriazole-4-carboxylic acid;5-[5-(methanesulfonamido)-6-methyl-2-pyridinyl]-3-methyltriazole-4-carboxylic acid;methyl 5-(5-bromo-6-methyl-2-pyridinyl)-3-methyltriazole-4-carboxylate;methyl 5-[5-(methanesulfonamido)-6-methyl-2-pyridinyl]-3-methyltriazole-4-carboxylate is sourced from PubChem (CID 159449079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).