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

C37H47N15O12S3 — CID 159643081

IUPACmethyl 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
SMILESCOC(=O)c1c(-c2ccc(N(C)S(C)(=O)=O)c(C)n2)nnn1C.COC(=O)c1c(-c2ccc(NS(C)(=O)=O)c(C)n2)nnn1C.Cc1nc(-c2nnn(C)c2C(=O)O)ccc1N(C)S(C)(=O)=O
InChIInChI=1S/C13H17N5O4S.2C12H15N5O4S/c1-8-10(18(3)23(5,20)21)7-6-9(14-8)11-12(13(19)22-4)17(2)16-15-11;1-7-9(17(3)22(4,20)21)6-5-8(13-7)10-11(12(18)19)16(2)15-14-10;1-7-8(15-22(4,19)20)5-6-9(13-7)10-11(12(18)21-3)17(2)16-14-10/h6-7H,1-5H3;5-6H,1-4H3,(H,18,19);5-6,15H,1-4H3
InChIKeyMQPKBJAYLKQPAL-UHFFFAOYSA-N
MW990.08 g/mol
LogP0.99
Rot. Bonds12

About 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

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 (PubChem CID 159643081) has the molecular formula C37H47N15O12S3 and a molecular weight of 990.08 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Namemethyl 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
PubChem CID159643081
Molecular FormulaC37H47N15O12S3
Molecular Weight990.08 g/mol
Exact Mass989.27
IUPAC Namemethyl 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
SMILESCOC(=O)c1c(-c2ccc(N(C)S(C)(=O)=O)c(C)n2)nnn1C.COC(=O)c1c(-c2ccc(NS(C)(=O)=O)c(C)n2)nnn1C.Cc1nc(-c2nnn(C)c2C(=O)O)ccc1N(C)S(C)(=O)=O
InChIInChI=1S/C13H17N5O4S.2C12H15N5O4S/c1-8-10(18(3)23(5,20)21)7-6-9(14-8)11-12(13(19)22-4)17(2)16-15-11;1-7-9(17(3)22(4,20)21)6-5-8(13-7)10-11(12(18)19)16(2)15-14-10;1-7-8(15-22(4,19)20)5-6-9(13-7)10-11(12(18)21-3)17(2)16-14-10/h6-7H,1-5H3;5-6H,1-4H3,(H,18,19);5-6,15H,1-4H3
InChIKeyMQPKBJAYLKQPAL-UHFFFAOYSA-N
XLogP0.99
TPSA341.63 Ų
H-Bond Donors2
H-Bond Acceptors23
Rotatable Bonds12
Heavy Atoms67
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500990.08
LogP ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1023

Analyze 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 with MolForge

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Launch Full Analysis

Related Compounds

5-[5-(Methanesulfonamido)-6-methyl-2-pyridinyl]-3-methyltriazole-4-carboxylic acid
CID 156366805
Methyl 5-[5-(methanesulfonamido)-6-methyl-2-pyridinyl]-3-methyltriazole-4-carboxylate
CID 156366887
5-[5-(Methanesulfonamido)-6-(methoxymethyl)-2-pyridinyl]-3-methyltriazole-4-carboxylic acid
CID 156367047
Methyl 5-[5-(ethylsulfonylamino)-6-methyl-2-pyridinyl]-3-methyltriazole-4-carboxylate
CID 156367106
Methyl 3-methyl-5-[6-methyl-5-[methyl(methylsulfonyl)amino]-2-pyridinyl]triazole-4-carboxylate
CID 156367108
5-[6-Ethyl-5-(methanesulfonamido)-2-pyridinyl]-3-methyltriazole-4-carboxylic acid
CID 156367190
Methyl 3-methyl-5-[6-methyl-5-[methylsulfonyl(trideuteriomethyl)amino]-2-pyridinyl]triazole-4-carboxylate
CID 156367353
Methyl 5-[5-[deuteriomethyl(methylsulfonyl)amino]-6-methyl-2-pyridinyl]-3-methyltriazole-4-carboxylate
CID 156440921
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

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is COC(=O)c1c(-c2ccc(N(C)S(C)(=O)=O)c(C)n2)nnn1C.COC(=O)c1c(-c2ccc(NS(C)(=O)=O)c(C)n2)nnn1C.Cc1nc(-c2nnn(C)c2C(=O)O)ccc1N(C)S(C)(=O)=O.
What is the InChIKey of 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?
The InChIKey is MQPKBJAYLKQPAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5O4S.2C12H15N5O4S/c1-8-10(18(3)23(5,20)21)7-6-9(14-8)11-12(13(19)22-4)17(2)16-15-11;1-7-9(17(3)22(4,20)21)6-5-8(13-7)10-11(12(18)19)16(2)15-14-10;1-7-8(15-22(4,19)20)5-6-9(13-7)10-11(12(18)21-3)17(2)16-14-10/h6-7H,1-5H3;5-6H,1-4H3,(H,18,19);5-6,15H,1-4H3.
What are the key properties of 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?
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 has a molecular weight of 990.08 g/mol, XLogP of 0.99, 12 rotatable bonds, 2 hydrogen bond donors, and 23 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 159643081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).