4-(2-hydroxyphenyl)-6-(3-methoxyphenyl)-3-methyl-1-phenylpyrazolo[5,4-b]pyridine-5-carbonitrile

C27H20N4O2 — CID 162655433

IUPAC4-(2-hydroxyphenyl)-6-(3-methoxyphenyl)-3-methyl-1-phenylpyrazolo[5,4-b]pyridine-5-carbonitrile
SMILESCOc1cccc(-c2nc3c(c(C)nn3-c3ccccc3)c(-c3ccccc3O)c2C#N)c1
InChIInChI=1S/C27H20N4O2/c1-17-24-25(21-13-6-7-14-23(21)32)22(16-28)26(18-9-8-12-20(15-18)33-2)29-27(24)31(30-17)19-10-4-3-5-11-19/h3-15,32H,1-2H3
InChIKeyOCQKNYBSEIWFNH-UHFFFAOYSA-N
MW432.48 g/mol
LogP5.65
Rot. Bonds4

About 4-(2-hydroxyphenyl)-6-(3-methoxyphenyl)-3-methyl-1-phenylpyrazolo[5,4-b]pyridine-5-carbonitrile

4-(2-hydroxyphenyl)-6-(3-methoxyphenyl)-3-methyl-1-phenylpyrazolo[5,4-b]pyridine-5-carbonitrile (PubChem CID 162655433) has the molecular formula C27H20N4O2 and a molecular weight of 432.48 g/mol. Its IUPAC name is 4-(2-hydroxyphenyl)-6-(3-methoxyphenyl)-3-methyl-1-phenylpyrazolo[5,4-b]pyridine-5-carbonitrile.

Molecular Properties

Compound Name4-(2-hydroxyphenyl)-6-(3-methoxyphenyl)-3-methyl-1-phenylpyrazolo[5,4-b]pyridine-5-carbonitrile
PubChem CID162655433
Molecular FormulaC27H20N4O2
Molecular Weight432.48 g/mol
Exact Mass432.16
IUPAC Name4-(2-hydroxyphenyl)-6-(3-methoxyphenyl)-3-methyl-1-phenylpyrazolo[5,4-b]pyridine-5-carbonitrile
SMILESCOc1cccc(-c2nc3c(c(C)nn3-c3ccccc3)c(-c3ccccc3O)c2C#N)c1
InChIInChI=1S/C27H20N4O2/c1-17-24-25(21-13-6-7-14-23(21)32)22(16-28)26(18-9-8-12-20(15-18)33-2)29-27(24)31(30-17)19-10-4-3-5-11-19/h3-15,32H,1-2H3
InChIKeyOCQKNYBSEIWFNH-UHFFFAOYSA-N
XLogP5.65
TPSA83.96 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.48
LogP ≤ 55.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-(2-hydroxyphenyl)-6-(3-methoxyphenyl)-3-methyl-1-phenylpyrazolo[5,4-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

Related Compounds

4-(3-methoxyphenyl)-1,3-diphenyl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-5-carbonitrile
CID 162640371
2,6-bis(3-methoxyphenyl)-4-phenylpyridine-3,5-dicarbonitrile
CID 176522061
2-[5-isocyano-6-(4-isocyanophenyl)-3-methyl-1-phenylpyrazolo[3,4-b]pyridin-4-yl]phenol
CID 156672541
4-(4-methoxyphenyl)-3-methyl-6-(2-oxopropoxy)-1-phenylpyrazolo[5,4-b]pyridine-5-carbonitrile
CID 7023171
6-amino-4-(3,4-dimethoxyphenyl)-3-methyl-1-phenylpyrazolo[5,4-b]pyridine-5-carbonitrile
CID 4890247
6-amino-3-methyl-1-phenyl-4-(2,3,4-trimethoxyphenyl)pyrazolo[5,4-b]pyridine-5-carbonitrile
CID 4896111
2-amino-4-(3-methoxyphenyl)-6-phenylpyrimidine-5-carbonitrile
CID 163196347
2-chloro-6-(3-methoxyphenyl)-4,5-dimethylpyridine-3-carbonitrile
CID 94282086
4-(furan-2-yl)-3,6-bis(4-methylphenyl)-1-phenylpyrazolo[5,4-b]pyridine-5-carbonitrile
CID 102393650
3,6-dimethyl-1-phenylpyrazolo[3,4-b]pyridine-4-carbonitrile
CID 45123383
8-[6-(5-bromo-1H-indol-3-yl)-5-cyano-3-methyl-1-phenylpyrazolo[5,4-b]pyridin-4-yl]naphthalene-1-carboxylic acid
CID 56951207
4-chloro-3-methyl-1-phenylpyrazolo[3,4-b]pyridine-6-carbonitrile
CID 126743745

Frequently Asked Questions

What is the IUPAC name of 4-(2-hydroxyphenyl)-6-(3-methoxyphenyl)-3-methyl-1-phenylpyrazolo[5,4-b]pyridine-5-carbonitrile?
The IUPAC name of 4-(2-hydroxyphenyl)-6-(3-methoxyphenyl)-3-methyl-1-phenylpyrazolo[5,4-b]pyridine-5-carbonitrile (CID 162655433) is 4-(2-hydroxyphenyl)-6-(3-methoxyphenyl)-3-methyl-1-phenylpyrazolo[5,4-b]pyridine-5-carbonitrile.
What is the SMILES notation for 4-(2-hydroxyphenyl)-6-(3-methoxyphenyl)-3-methyl-1-phenylpyrazolo[5,4-b]pyridine-5-carbonitrile?
The canonical SMILES for 4-(2-hydroxyphenyl)-6-(3-methoxyphenyl)-3-methyl-1-phenylpyrazolo[5,4-b]pyridine-5-carbonitrile is COc1cccc(-c2nc3c(c(C)nn3-c3ccccc3)c(-c3ccccc3O)c2C#N)c1.
What is the InChIKey of 4-(2-hydroxyphenyl)-6-(3-methoxyphenyl)-3-methyl-1-phenylpyrazolo[5,4-b]pyridine-5-carbonitrile?
The InChIKey is OCQKNYBSEIWFNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H20N4O2/c1-17-24-25(21-13-6-7-14-23(21)32)22(16-28)26(18-9-8-12-20(15-18)33-2)29-27(24)31(30-17)19-10-4-3-5-11-19/h3-15,32H,1-2H3.
What are the key properties of 4-(2-hydroxyphenyl)-6-(3-methoxyphenyl)-3-methyl-1-phenylpyrazolo[5,4-b]pyridine-5-carbonitrile?
4-(2-hydroxyphenyl)-6-(3-methoxyphenyl)-3-methyl-1-phenylpyrazolo[5,4-b]pyridine-5-carbonitrile has a molecular weight of 432.48 g/mol, XLogP of 5.65, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-hydroxyphenyl)-6-(3-methoxyphenyl)-3-methyl-1-phenylpyrazolo[5,4-b]pyridine-5-carbonitrile is sourced from PubChem (CID 162655433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).