3-amino-4-methyl-6-(2-methylphenyl)-2H-pyrazolo[3,4-b]pyridine-5-carbonitrile

C15H13N5 — CID 46206259

IUPAC3-amino-4-methyl-6-(2-methylphenyl)-2H-pyrazolo[3,4-b]pyridine-5-carbonitrile
SMILESCc1ccccc1-c1nc2n[nH]c(N)c2c(C)c1C#N
InChIInChI=1S/C15H13N5/c1-8-5-3-4-6-10(8)13-11(7-16)9(2)12-14(17)19-20-15(12)18-13/h3-6H,1-2H3,(H3,17,18,19,20)
InChIKeyGBRQYHDNNXFUCF-UHFFFAOYSA-N
MW263.30 g/mol
LogP2.70
Rot. Bonds1

About 3-amino-4-methyl-6-(2-methylphenyl)-2H-pyrazolo[3,4-b]pyridine-5-carbonitrile

3-amino-4-methyl-6-(2-methylphenyl)-2H-pyrazolo[3,4-b]pyridine-5-carbonitrile (PubChem CID 46206259) has the molecular formula C15H13N5 and a molecular weight of 263.30 g/mol. Its IUPAC name is 3-amino-4-methyl-6-(2-methylphenyl)-2H-pyrazolo[3,4-b]pyridine-5-carbonitrile.

Molecular Properties

Compound Name3-amino-4-methyl-6-(2-methylphenyl)-2H-pyrazolo[3,4-b]pyridine-5-carbonitrile
PubChem CID46206259
Molecular FormulaC15H13N5
Molecular Weight263.30 g/mol
Exact Mass263.12
IUPAC Name3-amino-4-methyl-6-(2-methylphenyl)-2H-pyrazolo[3,4-b]pyridine-5-carbonitrile
SMILESCc1ccccc1-c1nc2n[nH]c(N)c2c(C)c1C#N
InChIInChI=1S/C15H13N5/c1-8-5-3-4-6-10(8)13-11(7-16)9(2)12-14(17)19-20-15(12)18-13/h3-6H,1-2H3,(H3,17,18,19,20)
InChIKeyGBRQYHDNNXFUCF-UHFFFAOYSA-N
XLogP2.70
TPSA91.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.30
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-amino-4-methyl-6-(2-methylphenyl)-2H-pyrazolo[3,4-b]pyridine-5-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-methyl-6-(2-methylphenyl)-2H-pyrazolo[3,4-b]pyridine-5-carbonitrile?
The IUPAC name of 3-amino-4-methyl-6-(2-methylphenyl)-2H-pyrazolo[3,4-b]pyridine-5-carbonitrile (CID 46206259) is 3-amino-4-methyl-6-(2-methylphenyl)-2H-pyrazolo[3,4-b]pyridine-5-carbonitrile.
What is the SMILES notation for 3-amino-4-methyl-6-(2-methylphenyl)-2H-pyrazolo[3,4-b]pyridine-5-carbonitrile?
The canonical SMILES for 3-amino-4-methyl-6-(2-methylphenyl)-2H-pyrazolo[3,4-b]pyridine-5-carbonitrile is Cc1ccccc1-c1nc2n[nH]c(N)c2c(C)c1C#N.
What is the InChIKey of 3-amino-4-methyl-6-(2-methylphenyl)-2H-pyrazolo[3,4-b]pyridine-5-carbonitrile?
The InChIKey is GBRQYHDNNXFUCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N5/c1-8-5-3-4-6-10(8)13-11(7-16)9(2)12-14(17)19-20-15(12)18-13/h3-6H,1-2H3,(H3,17,18,19,20).
What are the key properties of 3-amino-4-methyl-6-(2-methylphenyl)-2H-pyrazolo[3,4-b]pyridine-5-carbonitrile?
3-amino-4-methyl-6-(2-methylphenyl)-2H-pyrazolo[3,4-b]pyridine-5-carbonitrile has a molecular weight of 263.30 g/mol, XLogP of 2.70, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-methyl-6-(2-methylphenyl)-2H-pyrazolo[3,4-b]pyridine-5-carbonitrile is sourced from PubChem (CID 46206259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).