N-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)-3-[4-(methylsulfamoyl)phenyl]propanamide

C17H19N5O3S — CID 86843296

IUPACN-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)-3-[4-(methylsulfamoyl)phenyl]propanamide
SMILESCNS(=O)(=O)c1ccc(CCC(=O)Nc2cnc3n[nH]c(C)c3c2)cc1
InChIInChI=1S/C17H19N5O3S/c1-11-15-9-13(10-19-17(15)22-21-11)20-16(23)8-5-12-3-6-14(7-4-12)26(24,25)18-2/h3-4,6-7,9-10,18H,5,8H2,1-2H3,(H,20,23)(H,19,21,22)
InChIKeyHBZFJRVUPVFFRG-UHFFFAOYSA-N
MW373.44 g/mol
LogP1.75
Rot. Bonds6

About N-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)-3-[4-(methylsulfamoyl)phenyl]propanamide

N-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)-3-[4-(methylsulfamoyl)phenyl]propanamide (PubChem CID 86843296) has the molecular formula C17H19N5O3S and a molecular weight of 373.44 g/mol. Its IUPAC name is N-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)-3-[4-(methylsulfamoyl)phenyl]propanamide.

Molecular Properties

Compound NameN-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)-3-[4-(methylsulfamoyl)phenyl]propanamide
PubChem CID86843296
Molecular FormulaC17H19N5O3S
Molecular Weight373.44 g/mol
Exact Mass373.12
IUPAC NameN-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)-3-[4-(methylsulfamoyl)phenyl]propanamide
SMILESCNS(=O)(=O)c1ccc(CCC(=O)Nc2cnc3n[nH]c(C)c3c2)cc1
InChIInChI=1S/C17H19N5O3S/c1-11-15-9-13(10-19-17(15)22-21-11)20-16(23)8-5-12-3-6-14(7-4-12)26(24,25)18-2/h3-4,6-7,9-10,18H,5,8H2,1-2H3,(H,20,23)(H,19,21,22)
InChIKeyHBZFJRVUPVFFRG-UHFFFAOYSA-N
XLogP1.75
TPSA116.84 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.44
LogP ≤ 51.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)-3-[4-(methylsulfamoyl)phenyl]propanamide?
The IUPAC name of N-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)-3-[4-(methylsulfamoyl)phenyl]propanamide (CID 86843296) is N-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)-3-[4-(methylsulfamoyl)phenyl]propanamide.
What is the SMILES notation for N-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)-3-[4-(methylsulfamoyl)phenyl]propanamide?
The canonical SMILES for N-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)-3-[4-(methylsulfamoyl)phenyl]propanamide is CNS(=O)(=O)c1ccc(CCC(=O)Nc2cnc3n[nH]c(C)c3c2)cc1.
What is the InChIKey of N-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)-3-[4-(methylsulfamoyl)phenyl]propanamide?
The InChIKey is HBZFJRVUPVFFRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5O3S/c1-11-15-9-13(10-19-17(15)22-21-11)20-16(23)8-5-12-3-6-14(7-4-12)26(24,25)18-2/h3-4,6-7,9-10,18H,5,8H2,1-2H3,(H,20,23)(H,19,21,22).
What are the key properties of N-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)-3-[4-(methylsulfamoyl)phenyl]propanamide?
N-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)-3-[4-(methylsulfamoyl)phenyl]propanamide has a molecular weight of 373.44 g/mol, XLogP of 1.75, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)-3-[4-(methylsulfamoyl)phenyl]propanamide is sourced from PubChem (CID 86843296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).