1-[(2,4-dimethoxyphenyl)methyl]-N-(4-methoxybutyl)pyrazolo[3,4-b]pyridine-5-carboxamide

C21H26N4O4 — CID 55724733

IUPAC1-[(2,4-dimethoxyphenyl)methyl]-N-(4-methoxybutyl)pyrazolo[3,4-b]pyridine-5-carboxamide
SMILESCOCCCCNC(=O)c1cnc2c(cnn2Cc2ccc(OC)cc2OC)c1
InChIInChI=1S/C21H26N4O4/c1-27-9-5-4-8-22-21(26)17-10-16-13-24-25(20(16)23-12-17)14-15-6-7-18(28-2)11-19(15)29-3/h6-7,10-13H,4-5,8-9,14H2,1-3H3,(H,22,26)
InChIKeyADKJRHBOMVSGFS-UHFFFAOYSA-N
MW398.46 g/mol
LogP2.65
Rot. Bonds10

About 1-[(2,4-dimethoxyphenyl)methyl]-N-(4-methoxybutyl)pyrazolo[3,4-b]pyridine-5-carboxamide

1-[(2,4-dimethoxyphenyl)methyl]-N-(4-methoxybutyl)pyrazolo[3,4-b]pyridine-5-carboxamide (PubChem CID 55724733) has the molecular formula C21H26N4O4 and a molecular weight of 398.46 g/mol. Its IUPAC name is 1-[(2,4-dimethoxyphenyl)methyl]-N-(4-methoxybutyl)pyrazolo[3,4-b]pyridine-5-carboxamide.

Molecular Properties

Compound Name1-[(2,4-dimethoxyphenyl)methyl]-N-(4-methoxybutyl)pyrazolo[3,4-b]pyridine-5-carboxamide
PubChem CID55724733
Molecular FormulaC21H26N4O4
Molecular Weight398.46 g/mol
Exact Mass398.20
IUPAC Name1-[(2,4-dimethoxyphenyl)methyl]-N-(4-methoxybutyl)pyrazolo[3,4-b]pyridine-5-carboxamide
SMILESCOCCCCNC(=O)c1cnc2c(cnn2Cc2ccc(OC)cc2OC)c1
InChIInChI=1S/C21H26N4O4/c1-27-9-5-4-8-22-21(26)17-10-16-13-24-25(20(16)23-12-17)14-15-6-7-18(28-2)11-19(15)29-3/h6-7,10-13H,4-5,8-9,14H2,1-3H3,(H,22,26)
InChIKeyADKJRHBOMVSGFS-UHFFFAOYSA-N
XLogP2.65
TPSA87.50 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.46
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N,1-bis[(2,4-dimethoxyphenyl)methyl]pyrazolo[3,4-b]pyridine-5-carboxamide
CID 55632444
N-cycloheptyl-1-[(2,4-dimethoxyphenyl)methyl]pyrazolo[3,4-b]pyridine-5-carboxamide
CID 46410868
N-(3-amino-2-methylpropyl)-1-[(2,4-dimethoxyphenyl)methyl]pyrazolo[3,4-b]pyridine-5-carboxamide;dihydrochloride
CID 119998253
1-[(2,4-dimethoxyphenyl)methyl]-N-(2-fluorophenyl)pyrazolo[3,4-b]pyridine-5-carboxamide
CID 55631434
N-(1-amino-2-methylpropan-2-yl)-1-[(2,4-dimethoxyphenyl)methyl]pyrazolo[3,4-b]pyridine-5-carboxamide
CID 119523052
1-[(2,4-dimethoxyphenyl)methyl]-N-(4-propan-2-yloxyphenyl)pyrazolo[3,4-b]pyridine-5-carboxamide
CID 55796905
N-(4-chloro-2,5-dimethoxyphenyl)-1-[(2,4-dimethoxyphenyl)methyl]pyrazolo[3,4-b]pyridine-5-carboxamide
CID 46409802
methyl 2-[[1-[(2,4-dimethoxyphenyl)methyl]pyrazolo[3,4-b]pyridine-5-carbonyl]amino]-2-methylpentanoate
CID 55670298
1-[(2,4-dimethoxyphenyl)methyl]-N-ethyl-N-(2-ethylbutyl)pyrazolo[3,4-b]pyridine-5-carboxamide
CID 39482906
2-[[1-[(2,4-dimethoxyphenyl)methyl]pyrazolo[3,4-b]pyridine-5-carbonyl]-ethylamino]acetic acid
CID 120519814
1-[(2,4-dimethoxyphenyl)methyl]-N-[1-(oxolan-2-yl)ethyl]pyrazolo[3,4-b]pyridine-5-carboxamide
CID 55632561
1-[(2,4-dimethoxyphenyl)methyl]-N-(furan-2-ylmethyl)-N-(2-methoxyethyl)pyrazolo[3,4-b]pyridine-5-carboxamide
CID 55632859

Frequently Asked Questions

What is the IUPAC name of 1-[(2,4-dimethoxyphenyl)methyl]-N-(4-methoxybutyl)pyrazolo[3,4-b]pyridine-5-carboxamide?
The IUPAC name of 1-[(2,4-dimethoxyphenyl)methyl]-N-(4-methoxybutyl)pyrazolo[3,4-b]pyridine-5-carboxamide (CID 55724733) is 1-[(2,4-dimethoxyphenyl)methyl]-N-(4-methoxybutyl)pyrazolo[3,4-b]pyridine-5-carboxamide.
What is the SMILES notation for 1-[(2,4-dimethoxyphenyl)methyl]-N-(4-methoxybutyl)pyrazolo[3,4-b]pyridine-5-carboxamide?
The canonical SMILES for 1-[(2,4-dimethoxyphenyl)methyl]-N-(4-methoxybutyl)pyrazolo[3,4-b]pyridine-5-carboxamide is COCCCCNC(=O)c1cnc2c(cnn2Cc2ccc(OC)cc2OC)c1.
What is the InChIKey of 1-[(2,4-dimethoxyphenyl)methyl]-N-(4-methoxybutyl)pyrazolo[3,4-b]pyridine-5-carboxamide?
The InChIKey is ADKJRHBOMVSGFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O4/c1-27-9-5-4-8-22-21(26)17-10-16-13-24-25(20(16)23-12-17)14-15-6-7-18(28-2)11-19(15)29-3/h6-7,10-13H,4-5,8-9,14H2,1-3H3,(H,22,26).
What are the key properties of 1-[(2,4-dimethoxyphenyl)methyl]-N-(4-methoxybutyl)pyrazolo[3,4-b]pyridine-5-carboxamide?
1-[(2,4-dimethoxyphenyl)methyl]-N-(4-methoxybutyl)pyrazolo[3,4-b]pyridine-5-carboxamide has a molecular weight of 398.46 g/mol, XLogP of 2.65, 10 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,4-dimethoxyphenyl)methyl]-N-(4-methoxybutyl)pyrazolo[3,4-b]pyridine-5-carboxamide is sourced from PubChem (CID 55724733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).