N-(5-tert-butyl-2-hydroxyphenyl)-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide

C20H24N4O2 — CID 46679706

IUPACN-(5-tert-butyl-2-hydroxyphenyl)-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide
SMILESCC(C)n1ncc2cc(C(=O)Nc3cc(C(C)(C)C)ccc3O)cnc21
InChIInChI=1S/C20H24N4O2/c1-12(2)24-18-13(11-22-24)8-14(10-21-18)19(26)23-16-9-15(20(3,4)5)6-7-17(16)25/h6-12,25H,1-5H3,(H,23,26)
InChIKeyFLHFBNWMUYNRRF-UHFFFAOYSA-N
MW352.44 g/mol
LogP4.27
Rot. Bonds3

About N-(5-tert-butyl-2-hydroxyphenyl)-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide

N-(5-tert-butyl-2-hydroxyphenyl)-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide (PubChem CID 46679706) has the molecular formula C20H24N4O2 and a molecular weight of 352.44 g/mol. Its IUPAC name is N-(5-tert-butyl-2-hydroxyphenyl)-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide.

Molecular Properties

Compound NameN-(5-tert-butyl-2-hydroxyphenyl)-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide
PubChem CID46679706
Molecular FormulaC20H24N4O2
Molecular Weight352.44 g/mol
Exact Mass352.19
IUPAC NameN-(5-tert-butyl-2-hydroxyphenyl)-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide
SMILESCC(C)n1ncc2cc(C(=O)Nc3cc(C(C)(C)C)ccc3O)cnc21
InChIInChI=1S/C20H24N4O2/c1-12(2)24-18-13(11-22-24)8-14(10-21-18)19(26)23-16-9-15(20(3,4)5)6-7-17(16)25/h6-12,25H,1-5H3,(H,23,26)
InChIKeyFLHFBNWMUYNRRF-UHFFFAOYSA-N
XLogP4.27
TPSA80.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.44
LogP ≤ 54.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol', 'substructure': 'N/A'}

Analyze N-(5-tert-butyl-2-hydroxyphenyl)-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-(2-methoxyphenyl)-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide
CID 24583509
3-[(1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carbonyl)amino]pyridine-2-carboxylic acid
CID 167884691
N-(4-bromo-2-chlorophenyl)-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide
CID 24586062
N'-(4-fluorobenzoyl)-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carbohydrazide
CID 46523701
N-(5-chloro-2-piperidin-1-ylphenyl)-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide
CID 16581633
N-(5-methyl-1,3,4-thiadiazol-2-yl)-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide
CID 16581596
N-(3-cyanophenyl)-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide
CID 42160130
2-methyl-3-[4-[(1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carbonyl)amino]phenyl]propanoic acid
CID 120541413
N-[5-(dimethylsulfamoyl)-2,3-dimethylphenyl]-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide
CID 34234365
N-(5-methylhexan-2-yl)-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide
CID 16581530
1-propan-2-yl-N'-(pyridine-3-carbonyl)pyrazolo[3,4-b]pyridine-5-carbohydrazide
CID 42157844
N-(6-phenylsulfanyl-2,3-dihydro-1,4-benzodioxin-7-yl)-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide
CID 51132978

Frequently Asked Questions

What is the IUPAC name of N-(5-tert-butyl-2-hydroxyphenyl)-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide?
The IUPAC name of N-(5-tert-butyl-2-hydroxyphenyl)-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide (CID 46679706) is N-(5-tert-butyl-2-hydroxyphenyl)-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide.
What is the SMILES notation for N-(5-tert-butyl-2-hydroxyphenyl)-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide?
The canonical SMILES for N-(5-tert-butyl-2-hydroxyphenyl)-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide is CC(C)n1ncc2cc(C(=O)Nc3cc(C(C)(C)C)ccc3O)cnc21.
What is the InChIKey of N-(5-tert-butyl-2-hydroxyphenyl)-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide?
The InChIKey is FLHFBNWMUYNRRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O2/c1-12(2)24-18-13(11-22-24)8-14(10-21-18)19(26)23-16-9-15(20(3,4)5)6-7-17(16)25/h6-12,25H,1-5H3,(H,23,26).
What are the key properties of N-(5-tert-butyl-2-hydroxyphenyl)-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide?
N-(5-tert-butyl-2-hydroxyphenyl)-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide has a molecular weight of 352.44 g/mol, XLogP of 4.27, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-tert-butyl-2-hydroxyphenyl)-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide is sourced from PubChem (CID 46679706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).