6-(furan-2-yl)-1-propan-2-yl-N-[4-(sulfamoylmethyl)phenyl]pyrazolo[5,4-b]pyridine-4-carboxamide

C21H21N5O4S — CID 24676072

IUPAC6-(furan-2-yl)-1-propan-2-yl-N-[4-(sulfamoylmethyl)phenyl]pyrazolo[5,4-b]pyridine-4-carboxamide
SMILESCC(C)n1ncc2c(C(=O)Nc3ccc(CS(N)(=O)=O)cc3)cc(-c3ccco3)nc21
InChIInChI=1S/C21H21N5O4S/c1-13(2)26-20-17(11-23-26)16(10-18(25-20)19-4-3-9-30-19)21(27)24-15-7-5-14(6-8-15)12-31(22,28)29/h3-11,13H,12H2,1-2H3,(H,24,27)(H2,22,28,29)
InChIKeyZPLCRURSWYQAPU-UHFFFAOYSA-N
MW439.50 g/mol
LogP3.31
Rot. Bonds6

About 6-(furan-2-yl)-1-propan-2-yl-N-[4-(sulfamoylmethyl)phenyl]pyrazolo[5,4-b]pyridine-4-carboxamide

6-(furan-2-yl)-1-propan-2-yl-N-[4-(sulfamoylmethyl)phenyl]pyrazolo[5,4-b]pyridine-4-carboxamide (PubChem CID 24676072) has the molecular formula C21H21N5O4S and a molecular weight of 439.50 g/mol. Its IUPAC name is 6-(furan-2-yl)-1-propan-2-yl-N-[4-(sulfamoylmethyl)phenyl]pyrazolo[5,4-b]pyridine-4-carboxamide.

Molecular Properties

Compound Name6-(furan-2-yl)-1-propan-2-yl-N-[4-(sulfamoylmethyl)phenyl]pyrazolo[5,4-b]pyridine-4-carboxamide
PubChem CID24676072
Molecular FormulaC21H21N5O4S
Molecular Weight439.50 g/mol
Exact Mass439.13
IUPAC Name6-(furan-2-yl)-1-propan-2-yl-N-[4-(sulfamoylmethyl)phenyl]pyrazolo[5,4-b]pyridine-4-carboxamide
SMILESCC(C)n1ncc2c(C(=O)Nc3ccc(CS(N)(=O)=O)cc3)cc(-c3ccco3)nc21
InChIInChI=1S/C21H21N5O4S/c1-13(2)26-20-17(11-23-26)16(10-18(25-20)19-4-3-9-30-19)21(27)24-15-7-5-14(6-8-15)12-31(22,28)29/h3-11,13H,12H2,1-2H3,(H,24,27)(H2,22,28,29)
InChIKeyZPLCRURSWYQAPU-UHFFFAOYSA-N
XLogP3.31
TPSA133.11 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.50
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-(furan-2-yl)-1-propan-2-yl-N-[4-(sulfamoylmethyl)phenyl]pyrazolo[5,4-b]pyridine-4-carboxamide?
The IUPAC name of 6-(furan-2-yl)-1-propan-2-yl-N-[4-(sulfamoylmethyl)phenyl]pyrazolo[5,4-b]pyridine-4-carboxamide (CID 24676072) is 6-(furan-2-yl)-1-propan-2-yl-N-[4-(sulfamoylmethyl)phenyl]pyrazolo[5,4-b]pyridine-4-carboxamide.
What is the SMILES notation for 6-(furan-2-yl)-1-propan-2-yl-N-[4-(sulfamoylmethyl)phenyl]pyrazolo[5,4-b]pyridine-4-carboxamide?
The canonical SMILES for 6-(furan-2-yl)-1-propan-2-yl-N-[4-(sulfamoylmethyl)phenyl]pyrazolo[5,4-b]pyridine-4-carboxamide is CC(C)n1ncc2c(C(=O)Nc3ccc(CS(N)(=O)=O)cc3)cc(-c3ccco3)nc21.
What is the InChIKey of 6-(furan-2-yl)-1-propan-2-yl-N-[4-(sulfamoylmethyl)phenyl]pyrazolo[5,4-b]pyridine-4-carboxamide?
The InChIKey is ZPLCRURSWYQAPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N5O4S/c1-13(2)26-20-17(11-23-26)16(10-18(25-20)19-4-3-9-30-19)21(27)24-15-7-5-14(6-8-15)12-31(22,28)29/h3-11,13H,12H2,1-2H3,(H,24,27)(H2,22,28,29).
What are the key properties of 6-(furan-2-yl)-1-propan-2-yl-N-[4-(sulfamoylmethyl)phenyl]pyrazolo[5,4-b]pyridine-4-carboxamide?
6-(furan-2-yl)-1-propan-2-yl-N-[4-(sulfamoylmethyl)phenyl]pyrazolo[5,4-b]pyridine-4-carboxamide has a molecular weight of 439.50 g/mol, XLogP of 3.31, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(furan-2-yl)-1-propan-2-yl-N-[4-(sulfamoylmethyl)phenyl]pyrazolo[5,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 24676072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).