methyl 3-(pyrazolo[1,5-a]pyridin-3-ylmethylsulfamoyl)thiophene-2-carboxylate

C14H13N3O4S2 — CID 71790798

IUPACmethyl 3-(pyrazolo[1,5-a]pyridin-3-ylmethylsulfamoyl)thiophene-2-carboxylate
SMILESCOC(=O)c1sccc1S(=O)(=O)NCc1cnn2ccccc12
InChIInChI=1S/C14H13N3O4S2/c1-21-14(18)13-12(5-7-22-13)23(19,20)16-9-10-8-15-17-6-3-2-4-11(10)17/h2-8,16H,9H2,1H3
InChIKeyLAVFXHMVHJKGIU-UHFFFAOYSA-N
MW351.41 g/mol
LogP1.66
Rot. Bonds5

About methyl 3-(pyrazolo[1,5-a]pyridin-3-ylmethylsulfamoyl)thiophene-2-carboxylate

methyl 3-(pyrazolo[1,5-a]pyridin-3-ylmethylsulfamoyl)thiophene-2-carboxylate (PubChem CID 71790798) has the molecular formula C14H13N3O4S2 and a molecular weight of 351.41 g/mol. Its IUPAC name is methyl 3-(pyrazolo[1,5-a]pyridin-3-ylmethylsulfamoyl)thiophene-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-(pyrazolo[1,5-a]pyridin-3-ylmethylsulfamoyl)thiophene-2-carboxylate
PubChem CID71790798
Molecular FormulaC14H13N3O4S2
Molecular Weight351.41 g/mol
Exact Mass351.03
IUPAC Namemethyl 3-(pyrazolo[1,5-a]pyridin-3-ylmethylsulfamoyl)thiophene-2-carboxylate
SMILESCOC(=O)c1sccc1S(=O)(=O)NCc1cnn2ccccc12
InChIInChI=1S/C14H13N3O4S2/c1-21-14(18)13-12(5-7-22-13)23(19,20)16-9-10-8-15-17-6-3-2-4-11(10)17/h2-8,16H,9H2,1H3
InChIKeyLAVFXHMVHJKGIU-UHFFFAOYSA-N
XLogP1.66
TPSA89.77 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

Cyclohexyl 2-thiophen-2-ylpyrazolo[1,5-a]pyridine-3-carboxylate
CID 137639094
Butyl 2-thiophen-2-ylpyrazolo[1,5-a]pyridine-3-carboxylate
CID 137639359
methyl 4-(N-(pyrazolo[1,5-a]pyridin-3-ylmethyl)sulfamoyl)benzoate
CID 71790799
Ethyl 5-(4-methylthiophene-2-amido)pyrazolo[1,5-a]pyridine-3-carboxylate
CID 71797819
methyl 3-(N-(2-(3-(pyridin-2-yl)-1H-pyrazol-1-yl)ethyl)sulfamoyl)thiophene-2-carboxylate
CID 71807972
methyl 3-(N-((1-methyl-4,5,6,7-tetrahydro-1H-indazol-3-yl)methyl)sulfamoyl)thiophene-2-carboxylate
CID 71808356
methyl 3-(N-(2-(3-(pyridin-2-yl)-4,5,6,7-tetrahydro-1H-indazol-1-yl)ethyl)sulfamoyl)thiophene-2-carboxylate
CID 72718543
methyl 3-(N-((5-(thiophen-3-yl)pyridin-3-yl)methyl)sulfamoyl)thiophene-2-carboxylate
CID 76151168
methyl 3-(N-(2-(3-(thiophen-3-yl)-1H-pyrazol-1-yl)ethyl)sulfamoyl)thiophene-2-carboxylate
CID 86266427
methyl 4-(N-(2-(3-(thiophen-3-yl)-1H-pyrazol-1-yl)ethyl)sulfamoyl)benzoate
CID 86266428
methyl 4-(N-(pyrazolo[1,5-a]pyridin-5-yl)sulfamoyl)benzoate
CID 86266897
methyl 3-(N-((2-(thiophen-2-yl)pyridin-3-yl)methyl)sulfamoyl)thiophene-2-carboxylate
CID 91625862

Frequently Asked Questions

What is the IUPAC name of methyl 3-(pyrazolo[1,5-a]pyridin-3-ylmethylsulfamoyl)thiophene-2-carboxylate?
The IUPAC name of methyl 3-(pyrazolo[1,5-a]pyridin-3-ylmethylsulfamoyl)thiophene-2-carboxylate (CID 71790798) is methyl 3-(pyrazolo[1,5-a]pyridin-3-ylmethylsulfamoyl)thiophene-2-carboxylate.
What is the SMILES notation for methyl 3-(pyrazolo[1,5-a]pyridin-3-ylmethylsulfamoyl)thiophene-2-carboxylate?
The canonical SMILES for methyl 3-(pyrazolo[1,5-a]pyridin-3-ylmethylsulfamoyl)thiophene-2-carboxylate is COC(=O)c1sccc1S(=O)(=O)NCc1cnn2ccccc12.
What is the InChIKey of methyl 3-(pyrazolo[1,5-a]pyridin-3-ylmethylsulfamoyl)thiophene-2-carboxylate?
The InChIKey is LAVFXHMVHJKGIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O4S2/c1-21-14(18)13-12(5-7-22-13)23(19,20)16-9-10-8-15-17-6-3-2-4-11(10)17/h2-8,16H,9H2,1H3.
What are the key properties of methyl 3-(pyrazolo[1,5-a]pyridin-3-ylmethylsulfamoyl)thiophene-2-carboxylate?
methyl 3-(pyrazolo[1,5-a]pyridin-3-ylmethylsulfamoyl)thiophene-2-carboxylate has a molecular weight of 351.41 g/mol, XLogP of 1.66, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(pyrazolo[1,5-a]pyridin-3-ylmethylsulfamoyl)thiophene-2-carboxylate is sourced from PubChem (CID 71790798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).