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

C23H28N4O — CID 20928153

IUPACN-cyclohexyl-1-(4-ethylphenyl)-3,6-dimethylpyrazolo[3,4-b]pyridine-4-carboxamide
SMILESCCc1ccc(-n2nc(C)c3c(C(=O)NC4CCCCC4)cc(C)nc32)cc1
InChIInChI=1S/C23H28N4O/c1-4-17-10-12-19(13-11-17)27-22-21(16(3)26-27)20(14-15(2)24-22)23(28)25-18-8-6-5-7-9-18/h10-14,18H,4-9H2,1-3H3,(H,25,28)
InChIKeyLIFIRVGYKWTQOD-UHFFFAOYSA-N
MW376.50 g/mol
LogP4.66
Rot. Bonds4

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

N-cyclohexyl-1-(4-ethylphenyl)-3,6-dimethylpyrazolo[3,4-b]pyridine-4-carboxamide (PubChem CID 20928153) has the molecular formula C23H28N4O and a molecular weight of 376.50 g/mol. Its IUPAC name is N-cyclohexyl-1-(4-ethylphenyl)-3,6-dimethylpyrazolo[3,4-b]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-1-(4-ethylphenyl)-3,6-dimethylpyrazolo[3,4-b]pyridine-4-carboxamide
PubChem CID20928153
Molecular FormulaC23H28N4O
Molecular Weight376.50 g/mol
Exact Mass376.23
IUPAC NameN-cyclohexyl-1-(4-ethylphenyl)-3,6-dimethylpyrazolo[3,4-b]pyridine-4-carboxamide
SMILESCCc1ccc(-n2nc(C)c3c(C(=O)NC4CCCCC4)cc(C)nc32)cc1
InChIInChI=1S/C23H28N4O/c1-4-17-10-12-19(13-11-17)27-22-21(16(3)26-27)20(14-15(2)24-22)23(28)25-18-8-6-5-7-9-18/h10-14,18H,4-9H2,1-3H3,(H,25,28)
InChIKeyLIFIRVGYKWTQOD-UHFFFAOYSA-N
XLogP4.66
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.50
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3,4-dimethylphenyl)-1-(4-ethylphenyl)-3,6-dimethylpyrazolo[3,4-b]pyridine-4-carboxamide
CID 20928136
N-(2-ethylphenyl)-1-(4-ethylphenyl)-3,6-dimethylpyrazolo[3,4-b]pyridine-4-carboxamide
CID 20928119
1-(4-ethylphenyl)-N-[(4-methoxyphenyl)methyl]-3,6-dimethylpyrazolo[3,4-b]pyridine-4-carboxamide
CID 20928125
1-(4-ethylphenyl)-3,6-dimethyl-N-(pyridin-2-ylmethyl)pyrazolo[3,4-b]pyridine-4-carboxamide
CID 20928099
N-(2,4-dimethoxyphenyl)-1-(4-ethylphenyl)-3,6-dimethylpyrazolo[3,4-b]pyridine-4-carboxamide
CID 20928116
1-(4-ethylphenyl)-N-[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]-3,6-dimethylpyrazolo[3,4-b]pyridine-4-carboxamide
CID 20928162
4-chloro-N-cycloheptyl-1-(4-methoxyphenyl)-3-methylpyrazolo[3,4-b]pyridine-5-carboxamide
CID 7626984
3,6-dimethyl-1-phenyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrazolo[3,4-b]pyridine-4-carboxamide
CID 44823024
N-cycloheptyl-2-(4-ethylanilino)-6-methylpyrimidine-4-carboxamide
CID 109332948
1-(4-aminophenyl)-N-(2,4-dimethyl-3-pyridinyl)-3,6-dimethylpyrazolo[3,4-b]pyridine-4-carboxamide
CID 89369421
1-(3-chloro-2-methylphenyl)-N-(4-ethylphenyl)-3,6-dimethylpyrazolo[3,4-b]pyridine-4-carboxamide
CID 20927974
3,6-dimethyl-1-phenyl-N-(2-pyrazol-1-ylethyl)pyrazolo[3,4-b]pyridine-4-carboxamide
CID 19588387

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-1-(4-ethylphenyl)-3,6-dimethylpyrazolo[3,4-b]pyridine-4-carboxamide?
The IUPAC name of N-cyclohexyl-1-(4-ethylphenyl)-3,6-dimethylpyrazolo[3,4-b]pyridine-4-carboxamide (CID 20928153) is N-cyclohexyl-1-(4-ethylphenyl)-3,6-dimethylpyrazolo[3,4-b]pyridine-4-carboxamide.
What is the SMILES notation for N-cyclohexyl-1-(4-ethylphenyl)-3,6-dimethylpyrazolo[3,4-b]pyridine-4-carboxamide?
The canonical SMILES for N-cyclohexyl-1-(4-ethylphenyl)-3,6-dimethylpyrazolo[3,4-b]pyridine-4-carboxamide is CCc1ccc(-n2nc(C)c3c(C(=O)NC4CCCCC4)cc(C)nc32)cc1.
What is the InChIKey of N-cyclohexyl-1-(4-ethylphenyl)-3,6-dimethylpyrazolo[3,4-b]pyridine-4-carboxamide?
The InChIKey is LIFIRVGYKWTQOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4O/c1-4-17-10-12-19(13-11-17)27-22-21(16(3)26-27)20(14-15(2)24-22)23(28)25-18-8-6-5-7-9-18/h10-14,18H,4-9H2,1-3H3,(H,25,28).
What are the key properties of N-cyclohexyl-1-(4-ethylphenyl)-3,6-dimethylpyrazolo[3,4-b]pyridine-4-carboxamide?
N-cyclohexyl-1-(4-ethylphenyl)-3,6-dimethylpyrazolo[3,4-b]pyridine-4-carboxamide has a molecular weight of 376.50 g/mol, XLogP of 4.66, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-1-(4-ethylphenyl)-3,6-dimethylpyrazolo[3,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 20928153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).