ethyl 4-[[5-[4-(methanesulfonamido)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzoate

C22H21N5O4S — CID 68732316

IUPACethyl 4-[[5-[4-(methanesulfonamido)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzoate
SMILESCCOC(=O)c1ccc(Nc2nc3cccc(-c4ccc(NS(C)(=O)=O)cc4)n3n2)cc1
InChIInChI=1S/C22H21N5O4S/c1-3-31-21(28)16-9-11-17(12-10-16)23-22-24-20-6-4-5-19(27(20)25-22)15-7-13-18(14-8-15)26-32(2,29)30/h4-14,26H,3H2,1-2H3,(H,23,25)
InChIKeyOQNGMZUUTRKCLI-UHFFFAOYSA-N
MW451.51 g/mol
LogP3.69
Rot. Bonds7

About ethyl 4-[[5-[4-(methanesulfonamido)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzoate

ethyl 4-[[5-[4-(methanesulfonamido)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzoate (PubChem CID 68732316) has the molecular formula C22H21N5O4S and a molecular weight of 451.51 g/mol. Its IUPAC name is ethyl 4-[[5-[4-(methanesulfonamido)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzoate.

Molecular Properties

Compound Nameethyl 4-[[5-[4-(methanesulfonamido)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzoate
PubChem CID68732316
Molecular FormulaC22H21N5O4S
Molecular Weight451.51 g/mol
Exact Mass451.13
IUPAC Nameethyl 4-[[5-[4-(methanesulfonamido)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzoate
SMILESCCOC(=O)c1ccc(Nc2nc3cccc(-c4ccc(NS(C)(=O)=O)cc4)n3n2)cc1
InChIInChI=1S/C22H21N5O4S/c1-3-31-21(28)16-9-11-17(12-10-16)23-22-24-20-6-4-5-19(27(20)25-22)15-7-13-18(14-8-15)26-32(2,29)30/h4-14,26H,3H2,1-2H3,(H,23,25)
InChIKeyOQNGMZUUTRKCLI-UHFFFAOYSA-N
XLogP3.69
TPSA114.69 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.51
LogP ≤ 53.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze ethyl 4-[[5-[4-(methanesulfonamido)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzoate with MolForge

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Related Compounds

4-[[5-(4-methylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide
CID 91017506
N-[4-(2-anilino-[1,2,4]triazolo[1,5-a]pyridin-5-yl)phenyl]propane-2-sulfonamide
CID 91110193
5-(4-fluorophenyl)-N-(4-methylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine
CID 143916172
4-[[5-[4-(cyanomethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide
CID 44624361
4-[[5-(3-methylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzoic acid
CID 59186532
4-[[5-(4-methylsulfonylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-piperidin-4-ylbenzamide
CID 44555571
5-(4-aminophenyl)-N-phenyl-[1,2,4]triazolo[1,5-a]pyridin-2-amine
CID 59276560
ethyl 3-(2-anilino-[1,2,4]triazolo[1,5-a]pyridin-5-yl)benzenecarboximidate
CID 68587733
ethyl 2-[4-(methanesulfonamido)anilino]benzoate
CID 112989811
4-[[5-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-(2-pyrrolidin-1-ylethyl)benzamide
CID 44624635
5-(4-fluorophenyl)-N-phenyl-[1,2,4]triazolo[1,5-a]pyridin-2-amine
CID 59186476
N-(2-methoxyethyl)-4-[[5-(3-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide
CID 59186391

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[[5-[4-(methanesulfonamido)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzoate?
The IUPAC name of ethyl 4-[[5-[4-(methanesulfonamido)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzoate (CID 68732316) is ethyl 4-[[5-[4-(methanesulfonamido)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzoate.
What is the SMILES notation for ethyl 4-[[5-[4-(methanesulfonamido)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzoate?
The canonical SMILES for ethyl 4-[[5-[4-(methanesulfonamido)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzoate is CCOC(=O)c1ccc(Nc2nc3cccc(-c4ccc(NS(C)(=O)=O)cc4)n3n2)cc1.
What is the InChIKey of ethyl 4-[[5-[4-(methanesulfonamido)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzoate?
The InChIKey is OQNGMZUUTRKCLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N5O4S/c1-3-31-21(28)16-9-11-17(12-10-16)23-22-24-20-6-4-5-19(27(20)25-22)15-7-13-18(14-8-15)26-32(2,29)30/h4-14,26H,3H2,1-2H3,(H,23,25).
What are the key properties of ethyl 4-[[5-[4-(methanesulfonamido)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzoate?
ethyl 4-[[5-[4-(methanesulfonamido)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzoate has a molecular weight of 451.51 g/mol, XLogP of 3.69, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[[5-[4-(methanesulfonamido)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzoate is sourced from PubChem (CID 68732316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).