3,6-dimethyl-1-phenylpyrazolo[3,4-b]pyridine-4-carbonitrile

C15H12N4 — CID 45123383

IUPAC3,6-dimethyl-1-phenylpyrazolo[3,4-b]pyridine-4-carbonitrile
SMILESCc1cc(C#N)c2c(C)nn(-c3ccccc3)c2n1
InChIInChI=1S/C15H12N4/c1-10-8-12(9-16)14-11(2)18-19(15(14)17-10)13-6-4-3-5-7-13/h3-8H,1-2H3
InChIKeyJJEDAMXMVJIYOO-UHFFFAOYSA-N
MW248.29 g/mol
LogP2.91
Rot. Bonds1

About 3,6-dimethyl-1-phenylpyrazolo[3,4-b]pyridine-4-carbonitrile

3,6-dimethyl-1-phenylpyrazolo[3,4-b]pyridine-4-carbonitrile (PubChem CID 45123383) has the molecular formula C15H12N4 and a molecular weight of 248.29 g/mol. Its IUPAC name is 3,6-dimethyl-1-phenylpyrazolo[3,4-b]pyridine-4-carbonitrile.

Molecular Properties

Compound Name3,6-dimethyl-1-phenylpyrazolo[3,4-b]pyridine-4-carbonitrile
PubChem CID45123383
Molecular FormulaC15H12N4
Molecular Weight248.29 g/mol
Exact Mass248.11
IUPAC Name3,6-dimethyl-1-phenylpyrazolo[3,4-b]pyridine-4-carbonitrile
SMILESCc1cc(C#N)c2c(C)nn(-c3ccccc3)c2n1
InChIInChI=1S/C15H12N4/c1-10-8-12(9-16)14-11(2)18-19(15(14)17-10)13-6-4-3-5-7-13/h3-8H,1-2H3
InChIKeyJJEDAMXMVJIYOO-UHFFFAOYSA-N
XLogP2.91
TPSA54.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.29
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-3-methyl-1-phenylpyrazolo[3,4-b]pyridine-6-carbonitrile
CID 126743745
1-(3-chlorophenyl)-3,6-dimethyl-4-phenylpyrazolo[3,4-b]pyridine
CID 17309001
1-(3,4-dimethylphenyl)-3,4,6-trimethylpyrazolo[5,4-b]pyridine
CID 17308016
azepan-1-yl-(3,6-dimethyl-1-phenylpyrazolo[3,4-b]pyridin-4-yl)methanone
CID 20927958
1-(4-methoxyphenyl)-3-methylpyrazolo[3,4-b]pyridine-4-carbonitrile
CID 71150273
3,6-dimethyl-N-(4-methylphenyl)-1-phenylpyrazolo[3,4-b]pyridine-4-carboxamide
CID 20927948
6,10-dimethyl-4,12-diphenyl-8-pyridin-2-yl-2,4,5,11,12-pentazatricyclo[7.3.0.03,7]dodeca-1,3(7),5,8,10-pentaene
CID 11165952
3-[(3,4-dimethyl-1-phenylpyrazolo[5,4-b]pyridin-6-yl)oxymethyl]benzonitrile
CID 50793788
(3,6-dimethyl-1-phenylpyrazolo[3,4-b]pyridin-4-yl)-[(3R,5R)-3,5-dimethylpiperidin-1-yl]methanone
CID 92665225
N-(2,2-difluoroethyl)-3,6-dimethyl-1-phenylpyrazolo[3,4-b]pyridine-4-carboxamide
CID 17026180
N-(4-bromophenyl)-3,6-dimethyl-1-phenylpyrazolo[3,4-b]pyridine-4-carboxamide
CID 20863859
6-amino-4-(3,4-dimethoxyphenyl)-3-methyl-1-phenylpyrazolo[5,4-b]pyridine-5-carbonitrile
CID 4890247

Frequently Asked Questions

What is the IUPAC name of 3,6-dimethyl-1-phenylpyrazolo[3,4-b]pyridine-4-carbonitrile?
The IUPAC name of 3,6-dimethyl-1-phenylpyrazolo[3,4-b]pyridine-4-carbonitrile (CID 45123383) is 3,6-dimethyl-1-phenylpyrazolo[3,4-b]pyridine-4-carbonitrile.
What is the SMILES notation for 3,6-dimethyl-1-phenylpyrazolo[3,4-b]pyridine-4-carbonitrile?
The canonical SMILES for 3,6-dimethyl-1-phenylpyrazolo[3,4-b]pyridine-4-carbonitrile is Cc1cc(C#N)c2c(C)nn(-c3ccccc3)c2n1.
What is the InChIKey of 3,6-dimethyl-1-phenylpyrazolo[3,4-b]pyridine-4-carbonitrile?
The InChIKey is JJEDAMXMVJIYOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N4/c1-10-8-12(9-16)14-11(2)18-19(15(14)17-10)13-6-4-3-5-7-13/h3-8H,1-2H3.
What are the key properties of 3,6-dimethyl-1-phenylpyrazolo[3,4-b]pyridine-4-carbonitrile?
3,6-dimethyl-1-phenylpyrazolo[3,4-b]pyridine-4-carbonitrile has a molecular weight of 248.29 g/mol, XLogP of 2.91, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dimethyl-1-phenylpyrazolo[3,4-b]pyridine-4-carbonitrile is sourced from PubChem (CID 45123383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).