N-(4-methoxybutyl)-6-(2-methylphenyl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide

C22H28N4O2 — CID 55724574

IUPACN-(4-methoxybutyl)-6-(2-methylphenyl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
SMILESCOCCCCNC(=O)c1cc(-c2ccccc2C)nc2c1cnn2C(C)C
InChIInChI=1S/C22H28N4O2/c1-15(2)26-21-19(14-24-26)18(22(27)23-11-7-8-12-28-4)13-20(25-21)17-10-6-5-9-16(17)3/h5-6,9-10,13-15H,7-8,11-12H2,1-4H3,(H,23,27)
InChIKeyAUZQWEKLQXLLCM-UHFFFAOYSA-N
MW380.49 g/mol
LogP4.14
Rot. Bonds8

About N-(4-methoxybutyl)-6-(2-methylphenyl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide

N-(4-methoxybutyl)-6-(2-methylphenyl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide (PubChem CID 55724574) has the molecular formula C22H28N4O2 and a molecular weight of 380.49 g/mol. Its IUPAC name is N-(4-methoxybutyl)-6-(2-methylphenyl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-(4-methoxybutyl)-6-(2-methylphenyl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
PubChem CID55724574
Molecular FormulaC22H28N4O2
Molecular Weight380.49 g/mol
Exact Mass380.22
IUPAC NameN-(4-methoxybutyl)-6-(2-methylphenyl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
SMILESCOCCCCNC(=O)c1cc(-c2ccccc2C)nc2c1cnn2C(C)C
InChIInChI=1S/C22H28N4O2/c1-15(2)26-21-19(14-24-26)18(22(27)23-11-7-8-12-28-4)13-20(25-21)17-10-6-5-9-16(17)3/h5-6,9-10,13-15H,7-8,11-12H2,1-4H3,(H,23,27)
InChIKeyAUZQWEKLQXLLCM-UHFFFAOYSA-N
XLogP4.14
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.49
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[4-(diethylamino)-4-oxobutyl]-6-(2-methylphenyl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 60513563
N-[(2R)-2-(ethylamino)propyl]-6-(2-methylphenyl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 120654233
6-(2-methylphenyl)-1-propan-2-yl-N-[2-(4-sulfamoylphenyl)ethyl]pyrazolo[5,4-b]pyridine-4-carboxamide
CID 55485870
6-(2-methylphenyl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 17468697
6-(2-methylphenyl)-1-propan-2-yl-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)pyrazolo[5,4-b]pyridine-4-carboxamide
CID 55493577
6-(2-methylphenyl)-N-piperidin-4-yl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide;dihydrochloride
CID 119389505
N-(2-acetamido-4,5-difluorophenyl)-6-(2-methylphenyl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 52846168
N-(2-methyl-5-methylsulfonylphenyl)-6-(2-methylphenyl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 134011934
6-(2-methylphenyl)-N-[phenyl(pyridin-4-yl)methyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 55494038
N-[4-(diethylcarbamoyl)phenyl]-6-(2-methylphenyl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 46699731
N-[(4-methoxyphenyl)methyl]-N-methyl-6-(2-methylphenyl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 30085573
6-(2-methylphenyl)-N-[(3S)-6-oxopiperidin-3-yl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 95689858

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxybutyl)-6-(2-methylphenyl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide?
The IUPAC name of N-(4-methoxybutyl)-6-(2-methylphenyl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide (CID 55724574) is N-(4-methoxybutyl)-6-(2-methylphenyl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide.
What is the SMILES notation for N-(4-methoxybutyl)-6-(2-methylphenyl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide?
The canonical SMILES for N-(4-methoxybutyl)-6-(2-methylphenyl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide is COCCCCNC(=O)c1cc(-c2ccccc2C)nc2c1cnn2C(C)C.
What is the InChIKey of N-(4-methoxybutyl)-6-(2-methylphenyl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide?
The InChIKey is AUZQWEKLQXLLCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N4O2/c1-15(2)26-21-19(14-24-26)18(22(27)23-11-7-8-12-28-4)13-20(25-21)17-10-6-5-9-16(17)3/h5-6,9-10,13-15H,7-8,11-12H2,1-4H3,(H,23,27).
What are the key properties of N-(4-methoxybutyl)-6-(2-methylphenyl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide?
N-(4-methoxybutyl)-6-(2-methylphenyl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide has a molecular weight of 380.49 g/mol, XLogP of 4.14, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxybutyl)-6-(2-methylphenyl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 55724574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).