N-(2,5-dimethylphenyl)-1-ethyl-3-methyl-6-(4-methylphenyl)pyrazolo[5,4-b]pyridine-4-carboxamide

C25H26N4O — CID 44821396

IUPACN-(2,5-dimethylphenyl)-1-ethyl-3-methyl-6-(4-methylphenyl)pyrazolo[5,4-b]pyridine-4-carboxamide
SMILESCCn1nc(C)c2c(C(=O)Nc3cc(C)ccc3C)cc(-c3ccc(C)cc3)nc21
InChIInChI=1S/C25H26N4O/c1-6-29-24-23(18(5)28-29)20(14-22(26-24)19-11-8-15(2)9-12-19)25(30)27-21-13-16(3)7-10-17(21)4/h7-14H,6H2,1-5H3,(H,27,30)
InChIKeyGAIRLFDTWYECCI-UHFFFAOYSA-N
MW398.51 g/mol
LogP5.60
Rot. Bonds4

About N-(2,5-dimethylphenyl)-1-ethyl-3-methyl-6-(4-methylphenyl)pyrazolo[5,4-b]pyridine-4-carboxamide

N-(2,5-dimethylphenyl)-1-ethyl-3-methyl-6-(4-methylphenyl)pyrazolo[5,4-b]pyridine-4-carboxamide (PubChem CID 44821396) has the molecular formula C25H26N4O and a molecular weight of 398.51 g/mol. Its IUPAC name is N-(2,5-dimethylphenyl)-1-ethyl-3-methyl-6-(4-methylphenyl)pyrazolo[5,4-b]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-(2,5-dimethylphenyl)-1-ethyl-3-methyl-6-(4-methylphenyl)pyrazolo[5,4-b]pyridine-4-carboxamide
PubChem CID44821396
Molecular FormulaC25H26N4O
Molecular Weight398.51 g/mol
Exact Mass398.21
IUPAC NameN-(2,5-dimethylphenyl)-1-ethyl-3-methyl-6-(4-methylphenyl)pyrazolo[5,4-b]pyridine-4-carboxamide
SMILESCCn1nc(C)c2c(C(=O)Nc3cc(C)ccc3C)cc(-c3ccc(C)cc3)nc21
InChIInChI=1S/C25H26N4O/c1-6-29-24-23(18(5)28-29)20(14-22(26-24)19-11-8-15(2)9-12-19)25(30)27-21-13-16(3)7-10-17(21)4/h7-14H,6H2,1-5H3,(H,27,30)
InChIKeyGAIRLFDTWYECCI-UHFFFAOYSA-N
XLogP5.60
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500398.51
LogP ≤ 55.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethylphenyl)-1-ethyl-3-methyl-6-(4-methylphenyl)pyrazolo[5,4-b]pyridine-4-carboxamide?
The IUPAC name of N-(2,5-dimethylphenyl)-1-ethyl-3-methyl-6-(4-methylphenyl)pyrazolo[5,4-b]pyridine-4-carboxamide (CID 44821396) is N-(2,5-dimethylphenyl)-1-ethyl-3-methyl-6-(4-methylphenyl)pyrazolo[5,4-b]pyridine-4-carboxamide.
What is the SMILES notation for N-(2,5-dimethylphenyl)-1-ethyl-3-methyl-6-(4-methylphenyl)pyrazolo[5,4-b]pyridine-4-carboxamide?
The canonical SMILES for N-(2,5-dimethylphenyl)-1-ethyl-3-methyl-6-(4-methylphenyl)pyrazolo[5,4-b]pyridine-4-carboxamide is CCn1nc(C)c2c(C(=O)Nc3cc(C)ccc3C)cc(-c3ccc(C)cc3)nc21.
What is the InChIKey of N-(2,5-dimethylphenyl)-1-ethyl-3-methyl-6-(4-methylphenyl)pyrazolo[5,4-b]pyridine-4-carboxamide?
The InChIKey is GAIRLFDTWYECCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N4O/c1-6-29-24-23(18(5)28-29)20(14-22(26-24)19-11-8-15(2)9-12-19)25(30)27-21-13-16(3)7-10-17(21)4/h7-14H,6H2,1-5H3,(H,27,30).
What are the key properties of N-(2,5-dimethylphenyl)-1-ethyl-3-methyl-6-(4-methylphenyl)pyrazolo[5,4-b]pyridine-4-carboxamide?
N-(2,5-dimethylphenyl)-1-ethyl-3-methyl-6-(4-methylphenyl)pyrazolo[5,4-b]pyridine-4-carboxamide has a molecular weight of 398.51 g/mol, XLogP of 5.60, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethylphenyl)-1-ethyl-3-methyl-6-(4-methylphenyl)pyrazolo[5,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 44821396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).