6-(furan-2-yl)-1,3-dimethyl-N-[(4-methylsulfonylphenyl)methyl]pyrazolo[5,4-b]pyridine-4-carboxamide

C21H20N4O4S — CID 55962171

IUPAC6-(furan-2-yl)-1,3-dimethyl-N-[(4-methylsulfonylphenyl)methyl]pyrazolo[5,4-b]pyridine-4-carboxamide
SMILESCc1nn(C)c2nc(-c3ccco3)cc(C(=O)NCc3ccc(S(C)(=O)=O)cc3)c12
InChIInChI=1S/C21H20N4O4S/c1-13-19-16(11-17(18-5-4-10-29-18)23-20(19)25(2)24-13)21(26)22-12-14-6-8-15(9-7-14)30(3,27)28/h4-11H,12H2,1-3H3,(H,22,26)
InChIKeyMMXCQJOTXNOFBH-UHFFFAOYSA-N
MW424.48 g/mol
LogP2.87
Rot. Bonds5

About 6-(furan-2-yl)-1,3-dimethyl-N-[(4-methylsulfonylphenyl)methyl]pyrazolo[5,4-b]pyridine-4-carboxamide

6-(furan-2-yl)-1,3-dimethyl-N-[(4-methylsulfonylphenyl)methyl]pyrazolo[5,4-b]pyridine-4-carboxamide (PubChem CID 55962171) has the molecular formula C21H20N4O4S and a molecular weight of 424.48 g/mol. Its IUPAC name is 6-(furan-2-yl)-1,3-dimethyl-N-[(4-methylsulfonylphenyl)methyl]pyrazolo[5,4-b]pyridine-4-carboxamide.

Molecular Properties

Compound Name6-(furan-2-yl)-1,3-dimethyl-N-[(4-methylsulfonylphenyl)methyl]pyrazolo[5,4-b]pyridine-4-carboxamide
PubChem CID55962171
Molecular FormulaC21H20N4O4S
Molecular Weight424.48 g/mol
Exact Mass424.12
IUPAC Name6-(furan-2-yl)-1,3-dimethyl-N-[(4-methylsulfonylphenyl)methyl]pyrazolo[5,4-b]pyridine-4-carboxamide
SMILESCc1nn(C)c2nc(-c3ccco3)cc(C(=O)NCc3ccc(S(C)(=O)=O)cc3)c12
InChIInChI=1S/C21H20N4O4S/c1-13-19-16(11-17(18-5-4-10-29-18)23-20(19)25(2)24-13)21(26)22-12-14-6-8-15(9-7-14)30(3,27)28/h4-11H,12H2,1-3H3,(H,22,26)
InChIKeyMMXCQJOTXNOFBH-UHFFFAOYSA-N
XLogP2.87
TPSA107.09 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.48
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

6-(furan-2-yl)-1,3-dimethyl-N-(4-methylsulfonylphenyl)pyrazolo[5,4-b]pyridine-4-carboxamide
CID 24627205
6-(furan-2-yl)-1,3-dimethyl-N-(pyridin-3-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxamide
CID 37172394
6-(furan-2-yl)-1,3-dimethyl-N-[[3-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]pyrazolo[5,4-b]pyridine-4-carboxamide
CID 55971926
6-(furan-2-yl)-1,3-dimethyl-N-[2-(2-methylpropanoylamino)ethyl]pyrazolo[5,4-b]pyridine-4-carboxamide
CID 33122675
N-[[2-(diethylaminomethyl)phenyl]methyl]-6-(furan-2-yl)-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 55520262
1,3-dimethyl-N-[[4-(methylsulfamoyl)phenyl]methyl]-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 55586897
6-(furan-2-yl)-1,3-dimethyl-N-naphthalen-1-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 16620803
N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-6-(furan-2-yl)-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 44822827
benzyl 2-[[6-(furan-2-yl)-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carbonyl]amino]acetate
CID 35186695
6-(furan-2-yl)-1,3-dimethyl-N-(4-methylphenyl)pyrazolo[5,4-b]pyridine-4-carboxamide
CID 16609317
N-(2,3-dihydro-1,4-benzodioxin-5-ylmethyl)-6-(furan-2-yl)-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 56579846
N-cyclopropyl-6-(furan-2-yl)-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 35185320

Frequently Asked Questions

What is the IUPAC name of 6-(furan-2-yl)-1,3-dimethyl-N-[(4-methylsulfonylphenyl)methyl]pyrazolo[5,4-b]pyridine-4-carboxamide?
The IUPAC name of 6-(furan-2-yl)-1,3-dimethyl-N-[(4-methylsulfonylphenyl)methyl]pyrazolo[5,4-b]pyridine-4-carboxamide (CID 55962171) is 6-(furan-2-yl)-1,3-dimethyl-N-[(4-methylsulfonylphenyl)methyl]pyrazolo[5,4-b]pyridine-4-carboxamide.
What is the SMILES notation for 6-(furan-2-yl)-1,3-dimethyl-N-[(4-methylsulfonylphenyl)methyl]pyrazolo[5,4-b]pyridine-4-carboxamide?
The canonical SMILES for 6-(furan-2-yl)-1,3-dimethyl-N-[(4-methylsulfonylphenyl)methyl]pyrazolo[5,4-b]pyridine-4-carboxamide is Cc1nn(C)c2nc(-c3ccco3)cc(C(=O)NCc3ccc(S(C)(=O)=O)cc3)c12.
What is the InChIKey of 6-(furan-2-yl)-1,3-dimethyl-N-[(4-methylsulfonylphenyl)methyl]pyrazolo[5,4-b]pyridine-4-carboxamide?
The InChIKey is MMXCQJOTXNOFBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4O4S/c1-13-19-16(11-17(18-5-4-10-29-18)23-20(19)25(2)24-13)21(26)22-12-14-6-8-15(9-7-14)30(3,27)28/h4-11H,12H2,1-3H3,(H,22,26).
What are the key properties of 6-(furan-2-yl)-1,3-dimethyl-N-[(4-methylsulfonylphenyl)methyl]pyrazolo[5,4-b]pyridine-4-carboxamide?
6-(furan-2-yl)-1,3-dimethyl-N-[(4-methylsulfonylphenyl)methyl]pyrazolo[5,4-b]pyridine-4-carboxamide has a molecular weight of 424.48 g/mol, XLogP of 2.87, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(furan-2-yl)-1,3-dimethyl-N-[(4-methylsulfonylphenyl)methyl]pyrazolo[5,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 55962171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).