N-[5-[2-methoxy-5-(phenylsulfamoyl)phenyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]acetamide

C21H19N5O4S — CID 177245188

IUPACN-[5-[2-methoxy-5-(phenylsulfamoyl)phenyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]acetamide
SMILESCOc1ccc(S(=O)(=O)Nc2ccccc2)cc1-c1cnc2n[nH]c(NC(C)=O)c2c1
InChIInChI=1S/C21H19N5O4S/c1-13(27)23-21-18-10-14(12-22-20(18)24-25-21)17-11-16(8-9-19(17)30-2)31(28,29)26-15-6-4-3-5-7-15/h3-12,26H,1-2H3,(H2,22,23,24,25,27)
InChIKeyZPSSGLTYVKIMFG-UHFFFAOYSA-N
MW437.48 g/mol
LogP3.39
Rot. Bonds6

About N-[5-[2-methoxy-5-(phenylsulfamoyl)phenyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]acetamide

N-[5-[2-methoxy-5-(phenylsulfamoyl)phenyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]acetamide (PubChem CID 177245188) has the molecular formula C21H19N5O4S and a molecular weight of 437.48 g/mol. Its IUPAC name is N-[5-[2-methoxy-5-(phenylsulfamoyl)phenyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]acetamide.

Molecular Properties

Compound NameN-[5-[2-methoxy-5-(phenylsulfamoyl)phenyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]acetamide
PubChem CID177245188
Molecular FormulaC21H19N5O4S
Molecular Weight437.48 g/mol
Exact Mass437.12
IUPAC NameN-[5-[2-methoxy-5-(phenylsulfamoyl)phenyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]acetamide
SMILESCOc1ccc(S(=O)(=O)Nc2ccccc2)cc1-c1cnc2n[nH]c(NC(C)=O)c2c1
InChIInChI=1S/C21H19N5O4S/c1-13(27)23-21-18-10-14(12-22-20(18)24-25-21)17-11-16(8-9-19(17)30-2)31(28,29)26-15-6-4-3-5-7-15/h3-12,26H,1-2H3,(H2,22,23,24,25,27)
InChIKeyZPSSGLTYVKIMFG-UHFFFAOYSA-N
XLogP3.39
TPSA126.07 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.48
LogP ≤ 53.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze N-[5-[2-methoxy-5-(phenylsulfamoyl)phenyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[5-[5-[(4-chlorophenyl)sulfamoyl]-2-methoxyphenyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]acetamide
CID 177245139
N-[3-(2-hydroxyethoxy)phenyl]-4-methoxy-3-(1H-pyrazolo[3,4-b]pyridin-5-yl)benzenesulfonamide
CID 177245122
N-[2-(2-hydroxyethoxy)phenyl]-4-methoxy-3-(1H-pyrazolo[3,4-b]pyridin-5-yl)benzenesulfonamide
CID 177245152
3,4-dimethoxy-N-(6-phenyl-3-pyridinyl)benzenesulfonamide
CID 110406353
N-(2-fluorophenyl)-4-methoxy-3-(3-morpholin-4-yl-1H-pyrazolo[5,4-b]pyridin-5-yl)benzenesulfonamide
CID 177245194
N-(3-acetamido-4-methoxyphenyl)-4-(phenylsulfamoyl)benzamide
CID 24666755
3-(1H-indazol-5-yl)-4-methoxy-N-(3-methylphenyl)benzenesulfonamide
CID 177245163
N-[2-methoxy-5-[(4-sulfamoylphenyl)sulfamoyl]phenyl]acetamide
CID 26951375
N-[5-[(3-fluorophenyl)sulfamoyl]-2-methoxyphenyl]acetamide
CID 6460904
3-(2-hydroxyethylamino)-4-methoxy-N-phenylbenzenesulfonamide
CID 70612965
N-(5-anilino-2-pyridinyl)-3,4-dimethoxybenzenesulfonamide
CID 113031264
2-methoxy-5-[[4-(2-phenyl-1,3-thiazol-4-yl)phenyl]sulfamoyl]benzamide
CID 122286502

Frequently Asked Questions

What is the IUPAC name of N-[5-[2-methoxy-5-(phenylsulfamoyl)phenyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]acetamide?
The IUPAC name of N-[5-[2-methoxy-5-(phenylsulfamoyl)phenyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]acetamide (CID 177245188) is N-[5-[2-methoxy-5-(phenylsulfamoyl)phenyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]acetamide.
What is the SMILES notation for N-[5-[2-methoxy-5-(phenylsulfamoyl)phenyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]acetamide?
The canonical SMILES for N-[5-[2-methoxy-5-(phenylsulfamoyl)phenyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]acetamide is COc1ccc(S(=O)(=O)Nc2ccccc2)cc1-c1cnc2n[nH]c(NC(C)=O)c2c1.
What is the InChIKey of N-[5-[2-methoxy-5-(phenylsulfamoyl)phenyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]acetamide?
The InChIKey is ZPSSGLTYVKIMFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N5O4S/c1-13(27)23-21-18-10-14(12-22-20(18)24-25-21)17-11-16(8-9-19(17)30-2)31(28,29)26-15-6-4-3-5-7-15/h3-12,26H,1-2H3,(H2,22,23,24,25,27).
What are the key properties of N-[5-[2-methoxy-5-(phenylsulfamoyl)phenyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]acetamide?
N-[5-[2-methoxy-5-(phenylsulfamoyl)phenyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]acetamide has a molecular weight of 437.48 g/mol, XLogP of 3.39, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[2-methoxy-5-(phenylsulfamoyl)phenyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]acetamide is sourced from PubChem (CID 177245188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).