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

C22H18N4O2 — CID 137012661

IUPAC4-(4-hydroxy-3-methylphenyl)-6-(4-methoxyphenyl)-3-methyl-2H-pyrazolo[3,4-b]pyridine-5-carbonitrile
SMILESCOc1ccc(-c2nc3n[nH]c(C)c3c(-c3ccc(O)c(C)c3)c2C#N)cc1
InChIInChI=1S/C22H18N4O2/c1-12-10-15(6-9-18(12)27)20-17(11-23)21(14-4-7-16(28-3)8-5-14)24-22-19(20)13(2)25-26-22/h4-10,27H,1-3H3,(H,24,25,26)
InChIKeyDOFGVAHHSWGYTL-UHFFFAOYSA-N
MW370.41 g/mol
LogP4.49
Rot. Bonds3

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

4-(4-hydroxy-3-methylphenyl)-6-(4-methoxyphenyl)-3-methyl-2H-pyrazolo[3,4-b]pyridine-5-carbonitrile (PubChem CID 137012661) has the molecular formula C22H18N4O2 and a molecular weight of 370.41 g/mol. Its IUPAC name is 4-(4-hydroxy-3-methylphenyl)-6-(4-methoxyphenyl)-3-methyl-2H-pyrazolo[3,4-b]pyridine-5-carbonitrile.

Molecular Properties

Compound Name4-(4-hydroxy-3-methylphenyl)-6-(4-methoxyphenyl)-3-methyl-2H-pyrazolo[3,4-b]pyridine-5-carbonitrile
PubChem CID137012661
Molecular FormulaC22H18N4O2
Molecular Weight370.41 g/mol
Exact Mass370.14
IUPAC Name4-(4-hydroxy-3-methylphenyl)-6-(4-methoxyphenyl)-3-methyl-2H-pyrazolo[3,4-b]pyridine-5-carbonitrile
SMILESCOc1ccc(-c2nc3n[nH]c(C)c3c(-c3ccc(O)c(C)c3)c2C#N)cc1
InChIInChI=1S/C22H18N4O2/c1-12-10-15(6-9-18(12)27)20-17(11-23)21(14-4-7-16(28-3)8-5-14)24-22-19(20)13(2)25-26-22/h4-10,27H,1-3H3,(H,24,25,26)
InChIKeyDOFGVAHHSWGYTL-UHFFFAOYSA-N
XLogP4.49
TPSA94.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.41
LogP ≤ 54.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-amino-4-(2-hydroxy-3-methoxyphenyl)-3-methyl-1-phenyl-1H-pyrazolo[3,4-b]pyridine-5-carbonitrile
CID 4890678
3-(5-(3-amino-3-methylbutyl)-2-methoxyphenyl)-N-(2,4-difluorophenyl)-1H-pyrazolo[3,4-b]pyridin-6-amine
CID 11510421
3-(5-(3-amino-3-methylbut-1-ynyl)-2-methoxyphenyl)-N-(2,4-difluorophenyl)-1H-pyrazolo[3,4-b]pyridin-6-amine
CID 11568224
N-(2,4-difluorophenyl)-3-(2-methoxy-5-((tetrahydro-2H-pyran-4-ylamino)methyl)phenyl)-1H-pyrazolo[3,4-b]pyridin-6-amine
CID 11655657
4-(3-(6-(2,4-difluorophenylamino)-1H-pyrazolo[3,4-d]pyrimidin-3-yl)-4-methoxyphenyl)-2-methylbutan-2-ol
CID 11683606
1-Tert-butyl-3-(4-methoxy-3-methyl-phenyl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 70697131
2-fluoro-4-[3-[2-methoxy-4-(4-propan-2-ylpiperazin-1-yl)phenyl]-2H-pyrazolo[3,4-b]pyridin-6-yl]phenol
CID 141727064
4-[3-[2-methoxy-4-(4-propan-2-ylpiperazin-1-yl)phenyl]-2H-pyrazolo[3,4-b]pyridin-6-yl]phenol
CID 141727090
4-(2-Hydroxyphenyl)-6-(4-iodophenyl)-3-methyl-1-phenylpyrazolo[5,4-b]pyridine-5-carbonitrile
CID 156207556
6-(1,3-Benzodioxol-5-yl)-4-(2-hydroxyphenyl)-3-methyl-1-phenylpyrazolo[5,4-b]pyridine-5-carbonitrile
CID 156207561
6-(4-Fluorophenyl)-4-(2-hydroxyphenyl)-3-methyl-1-phenylpyrazolo[5,4-b]pyridine-5-carbonitrile
CID 156207562
4-(2-Hydroxyphenyl)-3-methyl-1-phenyl-6-(4-propylphenyl)pyrazolo[5,4-b]pyridine-5-carbonitrile
CID 156207566

Frequently Asked Questions

What is the IUPAC name of 4-(4-hydroxy-3-methylphenyl)-6-(4-methoxyphenyl)-3-methyl-2H-pyrazolo[3,4-b]pyridine-5-carbonitrile?
The IUPAC name of 4-(4-hydroxy-3-methylphenyl)-6-(4-methoxyphenyl)-3-methyl-2H-pyrazolo[3,4-b]pyridine-5-carbonitrile (CID 137012661) is 4-(4-hydroxy-3-methylphenyl)-6-(4-methoxyphenyl)-3-methyl-2H-pyrazolo[3,4-b]pyridine-5-carbonitrile.
What is the SMILES notation for 4-(4-hydroxy-3-methylphenyl)-6-(4-methoxyphenyl)-3-methyl-2H-pyrazolo[3,4-b]pyridine-5-carbonitrile?
The canonical SMILES for 4-(4-hydroxy-3-methylphenyl)-6-(4-methoxyphenyl)-3-methyl-2H-pyrazolo[3,4-b]pyridine-5-carbonitrile is COc1ccc(-c2nc3n[nH]c(C)c3c(-c3ccc(O)c(C)c3)c2C#N)cc1.
What is the InChIKey of 4-(4-hydroxy-3-methylphenyl)-6-(4-methoxyphenyl)-3-methyl-2H-pyrazolo[3,4-b]pyridine-5-carbonitrile?
The InChIKey is DOFGVAHHSWGYTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N4O2/c1-12-10-15(6-9-18(12)27)20-17(11-23)21(14-4-7-16(28-3)8-5-14)24-22-19(20)13(2)25-26-22/h4-10,27H,1-3H3,(H,24,25,26).
What are the key properties of 4-(4-hydroxy-3-methylphenyl)-6-(4-methoxyphenyl)-3-methyl-2H-pyrazolo[3,4-b]pyridine-5-carbonitrile?
4-(4-hydroxy-3-methylphenyl)-6-(4-methoxyphenyl)-3-methyl-2H-pyrazolo[3,4-b]pyridine-5-carbonitrile has a molecular weight of 370.41 g/mol, XLogP of 4.49, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-hydroxy-3-methylphenyl)-6-(4-methoxyphenyl)-3-methyl-2H-pyrazolo[3,4-b]pyridine-5-carbonitrile is sourced from PubChem (CID 137012661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).