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

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Related Compounds

8-(2-methylphenyl)-4,5,7-triazatricyclo[7.5.0.02,6]tetradeca-1(9),2,5,7-tetraen-3-amine
CID 59311734
11-methyl-8-(2-methylphenyl)-4,5,7-triazatricyclo[7.3.0.02,6]dodeca-1(9),2,5,7-tetraen-3-amine
CID 59311697
5-amino-3-(2-methylphenyl)-1,2-oxazole-4-carbonitrile
CID 3236239
2-amino-6-(2-methylphenyl)benzonitrile
CID 175804845
3,6-diamino-4-[4-(3,6-diamino-5-cyano-2H-pyrazolo[3,4-b]pyridin-4-yl)phenyl]-2H-pyrazolo[3,4-b]pyridine-5-carbonitrile
CID 162650950
3-methyl-4,6-diphenyl-2H-pyrazolo[3,4-b]pyridine-5-carbonitrile
CID 132530624
2-chloro-6-(2,3-dihydro-1H-inden-4-ylamino)-4,5-dimethylpyridine-3-carbonitrile;6-N-(2,3-dihydro-1H-inden-4-yl)-4,5-dimethyl-2H-pyrazolo[3,4-b]pyridine-3,6-diamine
CID 167665453
6-(2-methylphenyl)pyridine-2-carbonitrile
CID 55265377
2-amino-4-(3-fluorophenyl)-6-(2-methylphenyl)pyridine-3-carbonitrile
CID 5230179
3-amino-6-(2-methylphenyl)-5-phenylpyrazine-2-carbonitrile
CID 164523722
2-chloro-6-(4-methylphenyl)-4-(4-phenoxyphenyl)pyridine-3-carbonitrile;6-(4-methylphenyl)-4-(4-phenoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-3-amine
CID 162072281
6-amino-2,4,5-triazatricyclo[7.3.0.03,7]dodeca-1,3,6,8-tetraene-8-carbonitrile
CID 91732686

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).