1-benzyl-N-(3-methylphenyl)pyrazolo[3,4-b]pyridine-5-carboxamide

C21H18N4O — CID 24624200

IUPAC1-benzyl-N-(3-methylphenyl)pyrazolo[3,4-b]pyridine-5-carboxamide
SMILESCc1cccc(NC(=O)c2cnc3c(cnn3Cc3ccccc3)c2)c1
InChIInChI=1S/C21H18N4O/c1-15-6-5-9-19(10-15)24-21(26)18-11-17-13-23-25(20(17)22-12-18)14-16-7-3-2-4-8-16/h2-13H,14H2,1H3,(H,24,26)
InChIKeyAQLCLEDIQBXXDT-UHFFFAOYSA-N
MW342.40 g/mol
LogP4.04
Rot. Bonds4

About 1-benzyl-N-(3-methylphenyl)pyrazolo[3,4-b]pyridine-5-carboxamide

1-benzyl-N-(3-methylphenyl)pyrazolo[3,4-b]pyridine-5-carboxamide (PubChem CID 24624200) has the molecular formula C21H18N4O and a molecular weight of 342.40 g/mol. Its IUPAC name is 1-benzyl-N-(3-methylphenyl)pyrazolo[3,4-b]pyridine-5-carboxamide.

Molecular Properties

Compound Name1-benzyl-N-(3-methylphenyl)pyrazolo[3,4-b]pyridine-5-carboxamide
PubChem CID24624200
Molecular FormulaC21H18N4O
Molecular Weight342.40 g/mol
Exact Mass342.15
IUPAC Name1-benzyl-N-(3-methylphenyl)pyrazolo[3,4-b]pyridine-5-carboxamide
SMILESCc1cccc(NC(=O)c2cnc3c(cnn3Cc3ccccc3)c2)c1
InChIInChI=1S/C21H18N4O/c1-15-6-5-9-19(10-15)24-21(26)18-11-17-13-23-25(20(17)22-12-18)14-16-7-3-2-4-8-16/h2-13H,14H2,1H3,(H,24,26)
InChIKeyAQLCLEDIQBXXDT-UHFFFAOYSA-N
XLogP4.04
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-benzyl-N-(1-methylpyrazol-4-yl)pyrazolo[3,4-b]pyridine-5-carboxamide
CID 32607487
1-benzyl-N-[3-[2-(dimethylamino)-2-oxoethoxy]phenyl]pyrazolo[3,4-b]pyridine-5-carboxamide
CID 78891757
1-benzyl-N-(2-methyl-1,3-benzoxazol-5-yl)pyrazolo[3,4-b]pyridine-5-carboxamide
CID 24622636
1-benzyl-N-(3-methylbutan-2-yl)pyrazolo[3,4-b]pyridine-5-carboxamide
CID 43042463
1-benzyl-N-[4-(dimethylsulfamoyl)phenyl]pyrazolo[3,4-b]pyridine-5-carboxamide
CID 78836743
1-benzyl-N-(4,5-dimethoxy-2-methylphenyl)pyrazolo[3,4-b]pyridine-5-carboxamide
CID 24624443
1-benzyl-N-(4,5-dichloro-2-pyridinyl)pyrazolo[3,4-b]pyridine-5-carboxamide
CID 75468059
1-benzyl-N-(2-bromo-4-fluorophenyl)pyrazolo[3,4-b]pyridine-5-carboxamide
CID 78891259
1-benzyl-N-(1-hydroxypropan-2-yl)pyrazolo[3,4-b]pyridine-5-carboxamide
CID 78856623
1-benzyl-N-[4-[(2-morpholin-4-ylacetyl)amino]phenyl]pyrazolo[3,4-b]pyridine-5-carboxamide
CID 24622914
1-benzyl-N-[3-chloro-4-(2-oxopyrrolidin-1-yl)phenyl]pyrazolo[3,4-b]pyridine-5-carboxamide
CID 24625383
1-benzyl-N-(1-hydroxybutan-2-yl)pyrazolo[3,4-b]pyridine-5-carboxamide
CID 110886300

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N-(3-methylphenyl)pyrazolo[3,4-b]pyridine-5-carboxamide?
The IUPAC name of 1-benzyl-N-(3-methylphenyl)pyrazolo[3,4-b]pyridine-5-carboxamide (CID 24624200) is 1-benzyl-N-(3-methylphenyl)pyrazolo[3,4-b]pyridine-5-carboxamide.
What is the SMILES notation for 1-benzyl-N-(3-methylphenyl)pyrazolo[3,4-b]pyridine-5-carboxamide?
The canonical SMILES for 1-benzyl-N-(3-methylphenyl)pyrazolo[3,4-b]pyridine-5-carboxamide is Cc1cccc(NC(=O)c2cnc3c(cnn3Cc3ccccc3)c2)c1.
What is the InChIKey of 1-benzyl-N-(3-methylphenyl)pyrazolo[3,4-b]pyridine-5-carboxamide?
The InChIKey is AQLCLEDIQBXXDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N4O/c1-15-6-5-9-19(10-15)24-21(26)18-11-17-13-23-25(20(17)22-12-18)14-16-7-3-2-4-8-16/h2-13H,14H2,1H3,(H,24,26).
What are the key properties of 1-benzyl-N-(3-methylphenyl)pyrazolo[3,4-b]pyridine-5-carboxamide?
1-benzyl-N-(3-methylphenyl)pyrazolo[3,4-b]pyridine-5-carboxamide has a molecular weight of 342.40 g/mol, XLogP of 4.04, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-N-(3-methylphenyl)pyrazolo[3,4-b]pyridine-5-carboxamide is sourced from PubChem (CID 24624200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).