N-(4-ethylphenyl)-1,6-dimethylpyrazolo[3,4-b]pyridine-4-carboxamide

C17H18N4O — CID 44822956

IUPACN-(4-ethylphenyl)-1,6-dimethylpyrazolo[3,4-b]pyridine-4-carboxamide
SMILESCCc1ccc(NC(=O)c2cc(C)nc3c2cnn3C)cc1
InChIInChI=1S/C17H18N4O/c1-4-12-5-7-13(8-6-12)20-17(22)14-9-11(2)19-16-15(14)10-18-21(16)3/h5-10H,4H2,1-3H3,(H,20,22)
InChIKeyZTLXUHZMAUGXLA-UHFFFAOYSA-N
MW294.36 g/mol
LogP3.09
Rot. Bonds3

About N-(4-ethylphenyl)-1,6-dimethylpyrazolo[3,4-b]pyridine-4-carboxamide

N-(4-ethylphenyl)-1,6-dimethylpyrazolo[3,4-b]pyridine-4-carboxamide (PubChem CID 44822956) has the molecular formula C17H18N4O and a molecular weight of 294.36 g/mol. Its IUPAC name is N-(4-ethylphenyl)-1,6-dimethylpyrazolo[3,4-b]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-(4-ethylphenyl)-1,6-dimethylpyrazolo[3,4-b]pyridine-4-carboxamide
PubChem CID44822956
Molecular FormulaC17H18N4O
Molecular Weight294.36 g/mol
Exact Mass294.15
IUPAC NameN-(4-ethylphenyl)-1,6-dimethylpyrazolo[3,4-b]pyridine-4-carboxamide
SMILESCCc1ccc(NC(=O)c2cc(C)nc3c2cnn3C)cc1
InChIInChI=1S/C17H18N4O/c1-4-12-5-7-13(8-6-12)20-17(22)14-9-11(2)19-16-15(14)10-18-21(16)3/h5-10H,4H2,1-3H3,(H,20,22)
InChIKeyZTLXUHZMAUGXLA-UHFFFAOYSA-N
XLogP3.09
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.36
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-fluorophenyl)-1,6-dimethylpyrazolo[3,4-b]pyridine-4-carboxamide
CID 44823137
N-(4-ethoxyphenyl)-1,6-dimethylpyrazolo[3,4-b]pyridine-4-carboxamide
CID 44823208
N-[4-[(4-bromopyrazol-1-yl)methyl]phenyl]-1,6-dimethylpyrazolo[3,4-b]pyridine-4-carboxamide
CID 44823365
N-(3-chlorophenyl)-1,6-dimethylpyrazolo[3,4-b]pyridine-4-carboxamide
CID 44823088
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,6-dimethylpyrazolo[3,4-b]pyridine-4-carboxamide
CID 44823250
N-(2-fluorophenyl)-1,6-dimethylpyrazolo[3,4-b]pyridine-4-carboxamide
CID 44822860
N-(4-acetamidophenyl)-6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carboxamide
CID 42152657
1,6-dimethylpyrazolo[3,4-b]pyridine-4-carboxylic acid
CID 19616512
N-[1-[(2-fluorophenyl)methyl]pyrazol-4-yl]-1,6-dimethylpyrazolo[3,4-b]pyridine-4-carboxamide
CID 44823313
1,3,6-trimethyl-N-(4-propylphenyl)pyrazolo[3,4-b]pyridine-4-carboxamide
CID 24627619
6-(3-fluorophenyl)-N-(4-fluorophenyl)-1-methylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 134802464
N-(4-ethylphenyl)-2-methylpyrazole-3-carboxamide
CID 6464324

Frequently Asked Questions

What is the IUPAC name of N-(4-ethylphenyl)-1,6-dimethylpyrazolo[3,4-b]pyridine-4-carboxamide?
The IUPAC name of N-(4-ethylphenyl)-1,6-dimethylpyrazolo[3,4-b]pyridine-4-carboxamide (CID 44822956) is N-(4-ethylphenyl)-1,6-dimethylpyrazolo[3,4-b]pyridine-4-carboxamide.
What is the SMILES notation for N-(4-ethylphenyl)-1,6-dimethylpyrazolo[3,4-b]pyridine-4-carboxamide?
The canonical SMILES for N-(4-ethylphenyl)-1,6-dimethylpyrazolo[3,4-b]pyridine-4-carboxamide is CCc1ccc(NC(=O)c2cc(C)nc3c2cnn3C)cc1.
What is the InChIKey of N-(4-ethylphenyl)-1,6-dimethylpyrazolo[3,4-b]pyridine-4-carboxamide?
The InChIKey is ZTLXUHZMAUGXLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O/c1-4-12-5-7-13(8-6-12)20-17(22)14-9-11(2)19-16-15(14)10-18-21(16)3/h5-10H,4H2,1-3H3,(H,20,22).
What are the key properties of N-(4-ethylphenyl)-1,6-dimethylpyrazolo[3,4-b]pyridine-4-carboxamide?
N-(4-ethylphenyl)-1,6-dimethylpyrazolo[3,4-b]pyridine-4-carboxamide has a molecular weight of 294.36 g/mol, XLogP of 3.09, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethylphenyl)-1,6-dimethylpyrazolo[3,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 44822956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).