methyl 4-(pyrazolo[1,5-a]pyridin-3-ylmethylsulfamoyl)benzoate

C16H15N3O4S — CID 71790799

IUPACmethyl 4-(pyrazolo[1,5-a]pyridin-3-ylmethylsulfamoyl)benzoate
SMILESCOC(=O)c1ccc(S(=O)(=O)NCc2cnn3ccccc23)cc1
InChIInChI=1S/C16H15N3O4S/c1-23-16(20)12-5-7-14(8-6-12)24(21,22)18-11-13-10-17-19-9-3-2-4-15(13)19/h2-10,18H,11H2,1H3
InChIKeyOZLMFAJMBUERFU-UHFFFAOYSA-N
MW345.38 g/mol
LogP1.60
Rot. Bonds5

About methyl 4-(pyrazolo[1,5-a]pyridin-3-ylmethylsulfamoyl)benzoate

methyl 4-(pyrazolo[1,5-a]pyridin-3-ylmethylsulfamoyl)benzoate (PubChem CID 71790799) has the molecular formula C16H15N3O4S and a molecular weight of 345.38 g/mol. Its IUPAC name is methyl 4-(pyrazolo[1,5-a]pyridin-3-ylmethylsulfamoyl)benzoate.

Molecular Properties

Compound Namemethyl 4-(pyrazolo[1,5-a]pyridin-3-ylmethylsulfamoyl)benzoate
PubChem CID71790799
Molecular FormulaC16H15N3O4S
Molecular Weight345.38 g/mol
Exact Mass345.08
IUPAC Namemethyl 4-(pyrazolo[1,5-a]pyridin-3-ylmethylsulfamoyl)benzoate
SMILESCOC(=O)c1ccc(S(=O)(=O)NCc2cnn3ccccc23)cc1
InChIInChI=1S/C16H15N3O4S/c1-23-16(20)12-5-7-14(8-6-12)24(21,22)18-11-13-10-17-19-9-3-2-4-15(13)19/h2-10,18H,11H2,1H3
InChIKeyOZLMFAJMBUERFU-UHFFFAOYSA-N
XLogP1.60
TPSA89.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.38
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 3-[(E)-[methyl-(2-methyl-5-nitrophenyl)sulfonylhydrazinylidene]methyl]pyrazolo[1,5-a]pyridine-5-carboxylate
CID 25169786
methyl 3-[[(E)-(5-cyanopyrazolo[1,5-a]pyridin-3-yl)methylideneamino]-methylsulfamoyl]-4-methylbenzoate
CID 25172274
Methyl 3-(4-methylphenyl)-1-(4-sulfamoylphenyl)pyrazole-4-carboxylate
CID 76311014
Methyl 3-(4-fluorophenyl)-1-(4-sulfamoylphenyl)pyrazole-4-carboxylate
CID 76325547
Methyl 3-phenyl-1-(4-sulfamoylphenyl)pyrazole-4-carboxylate
CID 76329099
methyl 2-[(1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)sulfonyl]benzoate
CID 4877776
3-[[(E)-(5-cyanopyrazolo[1,5-a]pyridin-3-yl)methylideneamino]-methylsulfamoyl]-4-methylbenzoic acid
CID 57400582
Butyl 2-phenylpyrazolo[1,5-a]pyridine-3-carboxylate
CID 137658202
Ethyl 2-(4-fluorophenyl)pyrazolo[1,5-A]pyridine-3-carboxylate
CID 71284143
US10308605, Example 157
CID 146047777
methyl 4-({[4-(1H-pyrazol-1-yl)phenyl]sulfonyl}amino)benzoate
CID 16022105
Ethyl 2-(4-methoxycarbonylphenyl)pyrazolo[1,5-a]pyridine-3-carboxylate
CID 137636784

Frequently Asked Questions

What is the IUPAC name of methyl 4-(pyrazolo[1,5-a]pyridin-3-ylmethylsulfamoyl)benzoate?
The IUPAC name of methyl 4-(pyrazolo[1,5-a]pyridin-3-ylmethylsulfamoyl)benzoate (CID 71790799) is methyl 4-(pyrazolo[1,5-a]pyridin-3-ylmethylsulfamoyl)benzoate.
What is the SMILES notation for methyl 4-(pyrazolo[1,5-a]pyridin-3-ylmethylsulfamoyl)benzoate?
The canonical SMILES for methyl 4-(pyrazolo[1,5-a]pyridin-3-ylmethylsulfamoyl)benzoate is COC(=O)c1ccc(S(=O)(=O)NCc2cnn3ccccc23)cc1.
What is the InChIKey of methyl 4-(pyrazolo[1,5-a]pyridin-3-ylmethylsulfamoyl)benzoate?
The InChIKey is OZLMFAJMBUERFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O4S/c1-23-16(20)12-5-7-14(8-6-12)24(21,22)18-11-13-10-17-19-9-3-2-4-15(13)19/h2-10,18H,11H2,1H3.
What are the key properties of methyl 4-(pyrazolo[1,5-a]pyridin-3-ylmethylsulfamoyl)benzoate?
methyl 4-(pyrazolo[1,5-a]pyridin-3-ylmethylsulfamoyl)benzoate has a molecular weight of 345.38 g/mol, XLogP of 1.60, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(pyrazolo[1,5-a]pyridin-3-ylmethylsulfamoyl)benzoate is sourced from PubChem (CID 71790799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).