methyl 5-(2-methoxy-2-oxoethyl)-6-methyl-4-(trifluoromethylsulfonyloxy)pyrazolo[1,5-a]pyridine-2-carboxylate

C14H13F3N2O7S — CID 126627239

IUPACmethyl 5-(2-methoxy-2-oxoethyl)-6-methyl-4-(trifluoromethylsulfonyloxy)pyrazolo[1,5-a]pyridine-2-carboxylate
SMILESCOC(=O)Cc1c(C)cn2nc(C(=O)OC)cc2c1OS(=O)(=O)C(F)(F)F
InChIInChI=1S/C14H13F3N2O7S/c1-7-6-19-10(5-9(18-19)13(21)25-3)12(8(7)4-11(20)24-2)26-27(22,23)14(15,16)17/h5-6H,4H2,1-3H3
InChIKeyOJZOINFOGXTYEF-UHFFFAOYSA-N
MW410.33 g/mol
LogP1.37
Rot. Bonds5

About methyl 5-(2-methoxy-2-oxoethyl)-6-methyl-4-(trifluoromethylsulfonyloxy)pyrazolo[1,5-a]pyridine-2-carboxylate

methyl 5-(2-methoxy-2-oxoethyl)-6-methyl-4-(trifluoromethylsulfonyloxy)pyrazolo[1,5-a]pyridine-2-carboxylate (PubChem CID 126627239) has the molecular formula C14H13F3N2O7S and a molecular weight of 410.33 g/mol. Its IUPAC name is methyl 5-(2-methoxy-2-oxoethyl)-6-methyl-4-(trifluoromethylsulfonyloxy)pyrazolo[1,5-a]pyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-(2-methoxy-2-oxoethyl)-6-methyl-4-(trifluoromethylsulfonyloxy)pyrazolo[1,5-a]pyridine-2-carboxylate
PubChem CID126627239
Molecular FormulaC14H13F3N2O7S
Molecular Weight410.33 g/mol
Exact Mass410.04
IUPAC Namemethyl 5-(2-methoxy-2-oxoethyl)-6-methyl-4-(trifluoromethylsulfonyloxy)pyrazolo[1,5-a]pyridine-2-carboxylate
SMILESCOC(=O)Cc1c(C)cn2nc(C(=O)OC)cc2c1OS(=O)(=O)C(F)(F)F
InChIInChI=1S/C14H13F3N2O7S/c1-7-6-19-10(5-9(18-19)13(21)25-3)12(8(7)4-11(20)24-2)26-27(22,23)14(15,16)17/h5-6H,4H2,1-3H3
InChIKeyOJZOINFOGXTYEF-UHFFFAOYSA-N
XLogP1.37
TPSA113.27 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.33
LogP ≤ 51.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_1', 'substructure': 'N/A'}, {'alert_name': 'triflate', 'substructure': 'N/A'}

Analyze methyl 5-(2-methoxy-2-oxoethyl)-6-methyl-4-(trifluoromethylsulfonyloxy)pyrazolo[1,5-a]pyridine-2-carboxylate with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methyl 5-(2-methoxy-2-oxoethyl)-6-methyl-4-(trifluoromethylsulfonyloxy)pyrazolo[1,5-a]pyridine-2-carboxylate?
The IUPAC name of methyl 5-(2-methoxy-2-oxoethyl)-6-methyl-4-(trifluoromethylsulfonyloxy)pyrazolo[1,5-a]pyridine-2-carboxylate (CID 126627239) is methyl 5-(2-methoxy-2-oxoethyl)-6-methyl-4-(trifluoromethylsulfonyloxy)pyrazolo[1,5-a]pyridine-2-carboxylate.
What is the SMILES notation for methyl 5-(2-methoxy-2-oxoethyl)-6-methyl-4-(trifluoromethylsulfonyloxy)pyrazolo[1,5-a]pyridine-2-carboxylate?
The canonical SMILES for methyl 5-(2-methoxy-2-oxoethyl)-6-methyl-4-(trifluoromethylsulfonyloxy)pyrazolo[1,5-a]pyridine-2-carboxylate is COC(=O)Cc1c(C)cn2nc(C(=O)OC)cc2c1OS(=O)(=O)C(F)(F)F.
What is the InChIKey of methyl 5-(2-methoxy-2-oxoethyl)-6-methyl-4-(trifluoromethylsulfonyloxy)pyrazolo[1,5-a]pyridine-2-carboxylate?
The InChIKey is OJZOINFOGXTYEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13F3N2O7S/c1-7-6-19-10(5-9(18-19)13(21)25-3)12(8(7)4-11(20)24-2)26-27(22,23)14(15,16)17/h5-6H,4H2,1-3H3.
What are the key properties of methyl 5-(2-methoxy-2-oxoethyl)-6-methyl-4-(trifluoromethylsulfonyloxy)pyrazolo[1,5-a]pyridine-2-carboxylate?
methyl 5-(2-methoxy-2-oxoethyl)-6-methyl-4-(trifluoromethylsulfonyloxy)pyrazolo[1,5-a]pyridine-2-carboxylate has a molecular weight of 410.33 g/mol, XLogP of 1.37, 5 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-(2-methoxy-2-oxoethyl)-6-methyl-4-(trifluoromethylsulfonyloxy)pyrazolo[1,5-a]pyridine-2-carboxylate is sourced from PubChem (CID 126627239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).