N-[3-(dimethylsulfamoyl)-4-methylphenyl]-6-(furan-2-yl)-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide

C22H23N5O4S — CID 16621304

IUPACN-[3-(dimethylsulfamoyl)-4-methylphenyl]-6-(furan-2-yl)-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide
SMILESCc1ccc(NC(=O)c2cc(-c3ccco3)nc3c2c(C)nn3C)cc1S(=O)(=O)N(C)C
InChIInChI=1S/C22H23N5O4S/c1-13-8-9-15(11-19(13)32(29,30)26(3)4)23-22(28)16-12-17(18-7-6-10-31-18)24-21-20(16)14(2)25-27(21)5/h6-12H,1-5H3,(H,23,28)
InChIKeyHOPBXLKLNGLODR-UHFFFAOYSA-N
MW453.52 g/mol
LogP3.35
Rot. Bonds5

About N-[3-(dimethylsulfamoyl)-4-methylphenyl]-6-(furan-2-yl)-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide

N-[3-(dimethylsulfamoyl)-4-methylphenyl]-6-(furan-2-yl)-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide (PubChem CID 16621304) has the molecular formula C22H23N5O4S and a molecular weight of 453.52 g/mol. Its IUPAC name is N-[3-(dimethylsulfamoyl)-4-methylphenyl]-6-(furan-2-yl)-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[3-(dimethylsulfamoyl)-4-methylphenyl]-6-(furan-2-yl)-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide
PubChem CID16621304
Molecular FormulaC22H23N5O4S
Molecular Weight453.52 g/mol
Exact Mass453.15
IUPAC NameN-[3-(dimethylsulfamoyl)-4-methylphenyl]-6-(furan-2-yl)-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide
SMILESCc1ccc(NC(=O)c2cc(-c3ccco3)nc3c2c(C)nn3C)cc1S(=O)(=O)N(C)C
InChIInChI=1S/C22H23N5O4S/c1-13-8-9-15(11-19(13)32(29,30)26(3)4)23-22(28)16-12-17(18-7-6-10-31-18)24-21-20(16)14(2)25-27(21)5/h6-12H,1-5H3,(H,23,28)
InChIKeyHOPBXLKLNGLODR-UHFFFAOYSA-N
XLogP3.35
TPSA110.33 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.52
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

6-(furan-2-yl)-1,3-dimethyl-N-(4-methylphenyl)pyrazolo[5,4-b]pyridine-4-carboxamide
CID 16609317
6-(furan-2-yl)-1,3-dimethyl-N-(4-methylsulfonylphenyl)pyrazolo[5,4-b]pyridine-4-carboxamide
CID 24627205
N-[3-(diethylsulfamoyl)phenyl]-6-(furan-2-yl)-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 16620962
S-[4-[[6-(furan-2-yl)-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carbonyl]amino]phenyl] N,N-dimethylcarbamothioate
CID 56576852
6-(furan-2-yl)-1,3-dimethyl-N-[4-(methylcarbamoyl)phenyl]pyrazolo[5,4-b]pyridine-4-carboxamide
CID 16622390
N-[4-(dimethylamino)-2-methylphenyl]-6-(furan-2-yl)-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 55780235
N-(3,4-diethoxyphenyl)-6-(furan-2-yl)-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 16621919
N-cyclopropyl-6-(furan-2-yl)-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 35185320
N-(4,5-dimethyl-1,3-thiazol-2-yl)-6-(furan-2-yl)-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 16622496
6-(furan-2-yl)-1,3-dimethyl-N-naphthalen-1-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 16620803
N-[2,6-di(propan-2-yl)phenyl]-6-(furan-2-yl)-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 16620877
6-(furan-2-yl)-1,3-dimethyl-N-[2-(2-methylpropanoylamino)ethyl]pyrazolo[5,4-b]pyridine-4-carboxamide
CID 33122675

Frequently Asked Questions

What is the IUPAC name of N-[3-(dimethylsulfamoyl)-4-methylphenyl]-6-(furan-2-yl)-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide?
The IUPAC name of N-[3-(dimethylsulfamoyl)-4-methylphenyl]-6-(furan-2-yl)-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide (CID 16621304) is N-[3-(dimethylsulfamoyl)-4-methylphenyl]-6-(furan-2-yl)-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide.
What is the SMILES notation for N-[3-(dimethylsulfamoyl)-4-methylphenyl]-6-(furan-2-yl)-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide?
The canonical SMILES for N-[3-(dimethylsulfamoyl)-4-methylphenyl]-6-(furan-2-yl)-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide is Cc1ccc(NC(=O)c2cc(-c3ccco3)nc3c2c(C)nn3C)cc1S(=O)(=O)N(C)C.
What is the InChIKey of N-[3-(dimethylsulfamoyl)-4-methylphenyl]-6-(furan-2-yl)-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide?
The InChIKey is HOPBXLKLNGLODR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N5O4S/c1-13-8-9-15(11-19(13)32(29,30)26(3)4)23-22(28)16-12-17(18-7-6-10-31-18)24-21-20(16)14(2)25-27(21)5/h6-12H,1-5H3,(H,23,28).
What are the key properties of N-[3-(dimethylsulfamoyl)-4-methylphenyl]-6-(furan-2-yl)-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide?
N-[3-(dimethylsulfamoyl)-4-methylphenyl]-6-(furan-2-yl)-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide has a molecular weight of 453.52 g/mol, XLogP of 3.35, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(dimethylsulfamoyl)-4-methylphenyl]-6-(furan-2-yl)-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 16621304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).