N-[3-(dimethylsulfamoyl)phenyl]-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide

C18H21N5O3S — CID 42158243

IUPACN-[3-(dimethylsulfamoyl)phenyl]-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide
SMILESCC(C)n1ncc2cc(C(=O)Nc3cccc(S(=O)(=O)N(C)C)c3)cnc21
InChIInChI=1S/C18H21N5O3S/c1-12(2)23-17-13(11-20-23)8-14(10-19-17)18(24)21-15-6-5-7-16(9-15)27(25,26)22(3)4/h5-12H,1-4H3,(H,21,24)
InChIKeyCUTCCHYPUIKJPN-UHFFFAOYSA-N
MW387.47 g/mol
LogP2.51
Rot. Bonds5

About N-[3-(dimethylsulfamoyl)phenyl]-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide

N-[3-(dimethylsulfamoyl)phenyl]-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide (PubChem CID 42158243) has the molecular formula C18H21N5O3S and a molecular weight of 387.47 g/mol. Its IUPAC name is N-[3-(dimethylsulfamoyl)phenyl]-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide.

Molecular Properties

Compound NameN-[3-(dimethylsulfamoyl)phenyl]-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide
PubChem CID42158243
Molecular FormulaC18H21N5O3S
Molecular Weight387.47 g/mol
Exact Mass387.14
IUPAC NameN-[3-(dimethylsulfamoyl)phenyl]-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide
SMILESCC(C)n1ncc2cc(C(=O)Nc3cccc(S(=O)(=O)N(C)C)c3)cnc21
InChIInChI=1S/C18H21N5O3S/c1-12(2)23-17-13(11-20-23)8-14(10-19-17)18(24)21-15-6-5-7-16(9-15)27(25,26)22(3)4/h5-12H,1-4H3,(H,21,24)
InChIKeyCUTCCHYPUIKJPN-UHFFFAOYSA-N
XLogP2.51
TPSA97.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.47
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[3-(dimethylsulfamoyl)phenyl]-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide 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-(3-cyanophenyl)-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide
CID 42160130
N-[5-(dimethylsulfamoyl)-2,3-dimethylphenyl]-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide
CID 34234365
3-(diethylsulfamoyl)-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)benzamide
CID 27693406
N-[3-(diethylcarbamoyl)phenyl]-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide
CID 33225377
3-(benzenesulfonamido)-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)benzamide
CID 26956441
1-benzyl-N-[4-(dimethylsulfamoyl)phenyl]pyrazolo[3,4-b]pyridine-5-carboxamide
CID 78836743
3-(ethylsulfamoyl)-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)benzamide
CID 38714189
N-[3-(2-ethoxyethoxymethyl)phenyl]-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide
CID 55806770
N-[3-(dimethylsulfamoyl)phenyl]-4-methylsulfonylbenzamide
CID 9093665
2-[benzenesulfonyl(methyl)amino]-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)acetamide
CID 46404473
N-[3-(dimethylsulfamoyl)phenyl]-6-morpholin-4-ylpyridine-3-carboxamide
CID 31865595
N-(2-methyl-1,3-benzoxazol-5-yl)-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide
CID 17462153

Frequently Asked Questions

What is the IUPAC name of N-[3-(dimethylsulfamoyl)phenyl]-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide?
The IUPAC name of N-[3-(dimethylsulfamoyl)phenyl]-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide (CID 42158243) is N-[3-(dimethylsulfamoyl)phenyl]-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide.
What is the SMILES notation for N-[3-(dimethylsulfamoyl)phenyl]-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide?
The canonical SMILES for N-[3-(dimethylsulfamoyl)phenyl]-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide is CC(C)n1ncc2cc(C(=O)Nc3cccc(S(=O)(=O)N(C)C)c3)cnc21.
What is the InChIKey of N-[3-(dimethylsulfamoyl)phenyl]-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide?
The InChIKey is CUTCCHYPUIKJPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5O3S/c1-12(2)23-17-13(11-20-23)8-14(10-19-17)18(24)21-15-6-5-7-16(9-15)27(25,26)22(3)4/h5-12H,1-4H3,(H,21,24).
What are the key properties of N-[3-(dimethylsulfamoyl)phenyl]-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide?
N-[3-(dimethylsulfamoyl)phenyl]-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide has a molecular weight of 387.47 g/mol, XLogP of 2.51, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(dimethylsulfamoyl)phenyl]-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide is sourced from PubChem (CID 42158243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).