1-(4-ethylphenyl)-3,6-dimethyl-N-(pyridin-2-ylmethyl)pyrazolo[3,4-b]pyridine-4-carboxamide

C23H23N5O — CID 20928099

IUPAC1-(4-ethylphenyl)-3,6-dimethyl-N-(pyridin-2-ylmethyl)pyrazolo[3,4-b]pyridine-4-carboxamide
SMILESCCc1ccc(-n2nc(C)c3c(C(=O)NCc4ccccn4)cc(C)nc32)cc1
InChIInChI=1S/C23H23N5O/c1-4-17-8-10-19(11-9-17)28-22-21(16(3)27-28)20(13-15(2)26-22)23(29)25-14-18-7-5-6-12-24-18/h5-13H,4,14H2,1-3H3,(H,25,29)
InChIKeyWJHYBWSYGAMXNJ-UHFFFAOYSA-N
MW385.47 g/mol
LogP3.92
Rot. Bonds5

About 1-(4-ethylphenyl)-3,6-dimethyl-N-(pyridin-2-ylmethyl)pyrazolo[3,4-b]pyridine-4-carboxamide

1-(4-ethylphenyl)-3,6-dimethyl-N-(pyridin-2-ylmethyl)pyrazolo[3,4-b]pyridine-4-carboxamide (PubChem CID 20928099) has the molecular formula C23H23N5O and a molecular weight of 385.47 g/mol. Its IUPAC name is 1-(4-ethylphenyl)-3,6-dimethyl-N-(pyridin-2-ylmethyl)pyrazolo[3,4-b]pyridine-4-carboxamide.

Molecular Properties

Compound Name1-(4-ethylphenyl)-3,6-dimethyl-N-(pyridin-2-ylmethyl)pyrazolo[3,4-b]pyridine-4-carboxamide
PubChem CID20928099
Molecular FormulaC23H23N5O
Molecular Weight385.47 g/mol
Exact Mass385.19
IUPAC Name1-(4-ethylphenyl)-3,6-dimethyl-N-(pyridin-2-ylmethyl)pyrazolo[3,4-b]pyridine-4-carboxamide
SMILESCCc1ccc(-n2nc(C)c3c(C(=O)NCc4ccccn4)cc(C)nc32)cc1
InChIInChI=1S/C23H23N5O/c1-4-17-8-10-19(11-9-17)28-22-21(16(3)27-28)20(13-15(2)26-22)23(29)25-14-18-7-5-6-12-24-18/h5-13H,4,14H2,1-3H3,(H,25,29)
InChIKeyWJHYBWSYGAMXNJ-UHFFFAOYSA-N
XLogP3.92
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.47
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-ethylphenyl)-N-[(4-methoxyphenyl)methyl]-3,6-dimethylpyrazolo[3,4-b]pyridine-4-carboxamide
CID 20928125
N-(2-ethylphenyl)-1-(4-ethylphenyl)-3,6-dimethylpyrazolo[3,4-b]pyridine-4-carboxamide
CID 20928119
N-cyclohexyl-1-(4-ethylphenyl)-3,6-dimethylpyrazolo[3,4-b]pyridine-4-carboxamide
CID 20928153
4-chloro-3-methyl-1-phenyl-N-(pyridin-2-ylmethyl)pyrazolo[3,4-b]pyridine-5-carboxamide
CID 7626683
N-(3,4-dimethylphenyl)-1-(4-ethylphenyl)-3,6-dimethylpyrazolo[3,4-b]pyridine-4-carboxamide
CID 20928136
N-[(2-ethoxyphenyl)methyl]-3,6-dimethyl-1-phenylpyrazolo[3,4-b]pyridine-4-carboxamide
CID 20927951
N-(2,2-difluoroethyl)-3,6-dimethyl-1-phenylpyrazolo[3,4-b]pyridine-4-carboxamide
CID 17026180
3,6-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]-1-phenylpyrazolo[3,4-b]pyridine-4-carboxamide
CID 19588547
N-(2,4-dimethoxyphenyl)-1-(4-ethylphenyl)-3,6-dimethylpyrazolo[3,4-b]pyridine-4-carboxamide
CID 20928116
3,6-dimethyl-1-phenyl-N-(2-pyrazol-1-ylethyl)pyrazolo[3,4-b]pyridine-4-carboxamide
CID 19588387
1,3-dimethyl-6-phenyl-N-(pyridin-2-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxamide
CID 36714359
1-(4-ethylphenyl)-N-[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]-3,6-dimethylpyrazolo[3,4-b]pyridine-4-carboxamide
CID 20928162

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethylphenyl)-3,6-dimethyl-N-(pyridin-2-ylmethyl)pyrazolo[3,4-b]pyridine-4-carboxamide?
The IUPAC name of 1-(4-ethylphenyl)-3,6-dimethyl-N-(pyridin-2-ylmethyl)pyrazolo[3,4-b]pyridine-4-carboxamide (CID 20928099) is 1-(4-ethylphenyl)-3,6-dimethyl-N-(pyridin-2-ylmethyl)pyrazolo[3,4-b]pyridine-4-carboxamide.
What is the SMILES notation for 1-(4-ethylphenyl)-3,6-dimethyl-N-(pyridin-2-ylmethyl)pyrazolo[3,4-b]pyridine-4-carboxamide?
The canonical SMILES for 1-(4-ethylphenyl)-3,6-dimethyl-N-(pyridin-2-ylmethyl)pyrazolo[3,4-b]pyridine-4-carboxamide is CCc1ccc(-n2nc(C)c3c(C(=O)NCc4ccccn4)cc(C)nc32)cc1.
What is the InChIKey of 1-(4-ethylphenyl)-3,6-dimethyl-N-(pyridin-2-ylmethyl)pyrazolo[3,4-b]pyridine-4-carboxamide?
The InChIKey is WJHYBWSYGAMXNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N5O/c1-4-17-8-10-19(11-9-17)28-22-21(16(3)27-28)20(13-15(2)26-22)23(29)25-14-18-7-5-6-12-24-18/h5-13H,4,14H2,1-3H3,(H,25,29).
What are the key properties of 1-(4-ethylphenyl)-3,6-dimethyl-N-(pyridin-2-ylmethyl)pyrazolo[3,4-b]pyridine-4-carboxamide?
1-(4-ethylphenyl)-3,6-dimethyl-N-(pyridin-2-ylmethyl)pyrazolo[3,4-b]pyridine-4-carboxamide has a molecular weight of 385.47 g/mol, XLogP of 3.92, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethylphenyl)-3,6-dimethyl-N-(pyridin-2-ylmethyl)pyrazolo[3,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 20928099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).