N-(2,4-dimethoxyphenyl)-3,6-dimethyl-1-(4-methylphenyl)pyrazolo[3,4-b]pyridine-4-carboxamide

C24H24N4O3 — CID 20928182

IUPACN-(2,4-dimethoxyphenyl)-3,6-dimethyl-1-(4-methylphenyl)pyrazolo[3,4-b]pyridine-4-carboxamide
SMILESCOc1ccc(NC(=O)c2cc(C)nc3c2c(C)nn3-c2ccc(C)cc2)c(OC)c1
InChIInChI=1S/C24H24N4O3/c1-14-6-8-17(9-7-14)28-23-22(16(3)27-28)19(12-15(2)25-23)24(29)26-20-11-10-18(30-4)13-21(20)31-5/h6-13H,1-5H3,(H,26,29)
InChIKeyNSMGLRZVZGNWQL-UHFFFAOYSA-N
MW416.48 g/mol
LogP4.62
Rot. Bonds5

About N-(2,4-dimethoxyphenyl)-3,6-dimethyl-1-(4-methylphenyl)pyrazolo[3,4-b]pyridine-4-carboxamide

N-(2,4-dimethoxyphenyl)-3,6-dimethyl-1-(4-methylphenyl)pyrazolo[3,4-b]pyridine-4-carboxamide (PubChem CID 20928182) has the molecular formula C24H24N4O3 and a molecular weight of 416.48 g/mol. Its IUPAC name is N-(2,4-dimethoxyphenyl)-3,6-dimethyl-1-(4-methylphenyl)pyrazolo[3,4-b]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-(2,4-dimethoxyphenyl)-3,6-dimethyl-1-(4-methylphenyl)pyrazolo[3,4-b]pyridine-4-carboxamide
PubChem CID20928182
Molecular FormulaC24H24N4O3
Molecular Weight416.48 g/mol
Exact Mass416.18
IUPAC NameN-(2,4-dimethoxyphenyl)-3,6-dimethyl-1-(4-methylphenyl)pyrazolo[3,4-b]pyridine-4-carboxamide
SMILESCOc1ccc(NC(=O)c2cc(C)nc3c2c(C)nn3-c2ccc(C)cc2)c(OC)c1
InChIInChI=1S/C24H24N4O3/c1-14-6-8-17(9-7-14)28-23-22(16(3)27-28)19(12-15(2)25-23)24(29)26-20-11-10-18(30-4)13-21(20)31-5/h6-13H,1-5H3,(H,26,29)
InChIKeyNSMGLRZVZGNWQL-UHFFFAOYSA-N
XLogP4.62
TPSA78.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.48
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethoxyphenyl)-3,6-dimethyl-1-(4-methylphenyl)pyrazolo[3,4-b]pyridine-4-carboxamide?
The IUPAC name of N-(2,4-dimethoxyphenyl)-3,6-dimethyl-1-(4-methylphenyl)pyrazolo[3,4-b]pyridine-4-carboxamide (CID 20928182) is N-(2,4-dimethoxyphenyl)-3,6-dimethyl-1-(4-methylphenyl)pyrazolo[3,4-b]pyridine-4-carboxamide.
What is the SMILES notation for N-(2,4-dimethoxyphenyl)-3,6-dimethyl-1-(4-methylphenyl)pyrazolo[3,4-b]pyridine-4-carboxamide?
The canonical SMILES for N-(2,4-dimethoxyphenyl)-3,6-dimethyl-1-(4-methylphenyl)pyrazolo[3,4-b]pyridine-4-carboxamide is COc1ccc(NC(=O)c2cc(C)nc3c2c(C)nn3-c2ccc(C)cc2)c(OC)c1.
What is the InChIKey of N-(2,4-dimethoxyphenyl)-3,6-dimethyl-1-(4-methylphenyl)pyrazolo[3,4-b]pyridine-4-carboxamide?
The InChIKey is NSMGLRZVZGNWQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N4O3/c1-14-6-8-17(9-7-14)28-23-22(16(3)27-28)19(12-15(2)25-23)24(29)26-20-11-10-18(30-4)13-21(20)31-5/h6-13H,1-5H3,(H,26,29).
What are the key properties of N-(2,4-dimethoxyphenyl)-3,6-dimethyl-1-(4-methylphenyl)pyrazolo[3,4-b]pyridine-4-carboxamide?
N-(2,4-dimethoxyphenyl)-3,6-dimethyl-1-(4-methylphenyl)pyrazolo[3,4-b]pyridine-4-carboxamide has a molecular weight of 416.48 g/mol, XLogP of 4.62, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethoxyphenyl)-3,6-dimethyl-1-(4-methylphenyl)pyrazolo[3,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 20928182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).