1-(4-fluorophenyl)-4-(4-hydroxy-3-methoxyphenyl)-3-methyl-6-oxo-7H-pyrazolo[5,4-b]pyridine-5-carbonitrile

C21H15FN4O3 — CID 135400092

IUPAC1-(4-fluorophenyl)-4-(4-hydroxy-3-methoxyphenyl)-3-methyl-6-oxo-7H-pyrazolo[5,4-b]pyridine-5-carbonitrile
SMILESCOc1cc(-c2c(C#N)c(=O)[nH]c3c2c(C)nn3-c2ccc(F)cc2)ccc1O
InChIInChI=1S/C21H15FN4O3/c1-11-18-19(12-3-8-16(27)17(9-12)29-2)15(10-23)21(28)24-20(18)26(25-11)14-6-4-13(22)5-7-14/h3-9,27H,1-2H3,(H,24,28)
InChIKeyGNMABSIJBVSZPV-UHFFFAOYSA-N
MW390.37 g/mol
LogP3.41
Rot. Bonds3

About 1-(4-fluorophenyl)-4-(4-hydroxy-3-methoxyphenyl)-3-methyl-6-oxo-7H-pyrazolo[5,4-b]pyridine-5-carbonitrile

1-(4-fluorophenyl)-4-(4-hydroxy-3-methoxyphenyl)-3-methyl-6-oxo-7H-pyrazolo[5,4-b]pyridine-5-carbonitrile (PubChem CID 135400092) has the molecular formula C21H15FN4O3 and a molecular weight of 390.37 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-4-(4-hydroxy-3-methoxyphenyl)-3-methyl-6-oxo-7H-pyrazolo[5,4-b]pyridine-5-carbonitrile.

Molecular Properties

Compound Name1-(4-fluorophenyl)-4-(4-hydroxy-3-methoxyphenyl)-3-methyl-6-oxo-7H-pyrazolo[5,4-b]pyridine-5-carbonitrile
PubChem CID135400092
Molecular FormulaC21H15FN4O3
Molecular Weight390.37 g/mol
Exact Mass390.11
IUPAC Name1-(4-fluorophenyl)-4-(4-hydroxy-3-methoxyphenyl)-3-methyl-6-oxo-7H-pyrazolo[5,4-b]pyridine-5-carbonitrile
SMILESCOc1cc(-c2c(C#N)c(=O)[nH]c3c2c(C)nn3-c2ccc(F)cc2)ccc1O
InChIInChI=1S/C21H15FN4O3/c1-11-18-19(12-3-8-16(27)17(9-12)29-2)15(10-23)21(28)24-20(18)26(25-11)14-6-4-13(22)5-7-14/h3-9,27H,1-2H3,(H,24,28)
InChIKeyGNMABSIJBVSZPV-UHFFFAOYSA-N
XLogP3.41
TPSA103.93 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.37
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-(3,4-dihydroxyphenyl)-1-(4-fluorophenyl)-3-methyl-6-oxo-7H-pyrazolo[5,4-b]pyridine-5-carbonitrile
CID 135520893
4-(4-bromophenyl)-3-methyl-6-oxo-1-phenyl-7H-pyrazolo[5,4-b]pyridine-5-carbonitrile
CID 135856974
2-amino-4-(4-hydroxy-3-methoxyphenyl)-5,6-dimethylpyridine-3-carbonitrile
CID 856296
1-(4-fluorophenyl)-3-methyl-6-(3,4,5-trimethoxyphenyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 155808854
6-amino-4-(3,4-dimethoxyphenyl)-3-methyl-1-phenylpyrazolo[5,4-b]pyridine-5-carbonitrile
CID 4890247
2-amino-4-(4-fluoro-3-methoxyphenyl)-6-oxo-1H-pyridine-3,5-dicarbonitrile
CID 169393173
6-(2,4-dimethylphenyl)-4-(4-hydroxy-3-methoxyphenyl)-2-oxo-1H-pyridine-3-carbonitrile
CID 19656504
2-(4-fluoro-3-methoxyphenyl)-4,5-dihydroxybenzene-1,3-dicarbonitrile
CID 72547797
6-amino-1-(3,5-dichlorophenyl)-4-(4-hydroxy-3-methoxyphenyl)-3-methyl-6H-pyrano[3,2-d]pyrazole-5-carbonitrile
CID 23741035
2-(4-fluoro-3-methylphenyl)-4-hydroxy-5-methoxybenzene-1,3-dicarbonitrile
CID 131743315
4-(4-hydroxy-3-methoxyphenyl)-6-(4-nitrophenyl)-2-oxo-1H-pyridine-3-carbonitrile
CID 19656503
6-(2-chlorophenyl)-1-(4-fluorophenyl)-5-hydroxy-3-methyl-7H-pyrazolo[5,4-b]pyridin-4-one
CID 137303541

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-4-(4-hydroxy-3-methoxyphenyl)-3-methyl-6-oxo-7H-pyrazolo[5,4-b]pyridine-5-carbonitrile?
The IUPAC name of 1-(4-fluorophenyl)-4-(4-hydroxy-3-methoxyphenyl)-3-methyl-6-oxo-7H-pyrazolo[5,4-b]pyridine-5-carbonitrile (CID 135400092) is 1-(4-fluorophenyl)-4-(4-hydroxy-3-methoxyphenyl)-3-methyl-6-oxo-7H-pyrazolo[5,4-b]pyridine-5-carbonitrile.
What is the SMILES notation for 1-(4-fluorophenyl)-4-(4-hydroxy-3-methoxyphenyl)-3-methyl-6-oxo-7H-pyrazolo[5,4-b]pyridine-5-carbonitrile?
The canonical SMILES for 1-(4-fluorophenyl)-4-(4-hydroxy-3-methoxyphenyl)-3-methyl-6-oxo-7H-pyrazolo[5,4-b]pyridine-5-carbonitrile is COc1cc(-c2c(C#N)c(=O)[nH]c3c2c(C)nn3-c2ccc(F)cc2)ccc1O.
What is the InChIKey of 1-(4-fluorophenyl)-4-(4-hydroxy-3-methoxyphenyl)-3-methyl-6-oxo-7H-pyrazolo[5,4-b]pyridine-5-carbonitrile?
The InChIKey is GNMABSIJBVSZPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15FN4O3/c1-11-18-19(12-3-8-16(27)17(9-12)29-2)15(10-23)21(28)24-20(18)26(25-11)14-6-4-13(22)5-7-14/h3-9,27H,1-2H3,(H,24,28).
What are the key properties of 1-(4-fluorophenyl)-4-(4-hydroxy-3-methoxyphenyl)-3-methyl-6-oxo-7H-pyrazolo[5,4-b]pyridine-5-carbonitrile?
1-(4-fluorophenyl)-4-(4-hydroxy-3-methoxyphenyl)-3-methyl-6-oxo-7H-pyrazolo[5,4-b]pyridine-5-carbonitrile has a molecular weight of 390.37 g/mol, XLogP of 3.41, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-4-(4-hydroxy-3-methoxyphenyl)-3-methyl-6-oxo-7H-pyrazolo[5,4-b]pyridine-5-carbonitrile is sourced from PubChem (CID 135400092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).