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

C22H17FN4O3 — CID 135400122

IUPAC4-(3-ethoxy-4-hydroxyphenyl)-1-(4-fluorophenyl)-3-methyl-6-oxo-7H-pyrazolo[5,4-b]pyridine-5-carbonitrile
SMILESCCOc1cc(-c2c(C#N)c(=O)[nH]c3c2c(C)nn3-c2ccc(F)cc2)ccc1O
InChIInChI=1S/C22H17FN4O3/c1-3-30-18-10-13(4-9-17(18)28)20-16(11-24)22(29)25-21-19(20)12(2)26-27(21)15-7-5-14(23)6-8-15/h4-10,28H,3H2,1-2H3,(H,25,29)
InChIKeyBMQCEVMMDFTZMG-UHFFFAOYSA-N
MW404.40 g/mol
LogP3.80
Rot. Bonds4

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

4-(3-ethoxy-4-hydroxyphenyl)-1-(4-fluorophenyl)-3-methyl-6-oxo-7H-pyrazolo[5,4-b]pyridine-5-carbonitrile (PubChem CID 135400122) has the molecular formula C22H17FN4O3 and a molecular weight of 404.40 g/mol. Its IUPAC name is 4-(3-ethoxy-4-hydroxyphenyl)-1-(4-fluorophenyl)-3-methyl-6-oxo-7H-pyrazolo[5,4-b]pyridine-5-carbonitrile.

Molecular Properties

Compound Name4-(3-ethoxy-4-hydroxyphenyl)-1-(4-fluorophenyl)-3-methyl-6-oxo-7H-pyrazolo[5,4-b]pyridine-5-carbonitrile
PubChem CID135400122
Molecular FormulaC22H17FN4O3
Molecular Weight404.40 g/mol
Exact Mass404.13
IUPAC Name4-(3-ethoxy-4-hydroxyphenyl)-1-(4-fluorophenyl)-3-methyl-6-oxo-7H-pyrazolo[5,4-b]pyridine-5-carbonitrile
SMILESCCOc1cc(-c2c(C#N)c(=O)[nH]c3c2c(C)nn3-c2ccc(F)cc2)ccc1O
InChIInChI=1S/C22H17FN4O3/c1-3-30-18-10-13(4-9-17(18)28)20-16(11-24)22(29)25-21-19(20)12(2)26-27(21)15-7-5-14(23)6-8-15/h4-10,28H,3H2,1-2H3,(H,25,29)
InChIKeyBMQCEVMMDFTZMG-UHFFFAOYSA-N
XLogP3.80
TPSA103.93 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.40
LogP ≤ 53.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 4-(3-ethoxy-4-hydroxyphenyl)-1-(4-fluorophenyl)-3-methyl-6-oxo-7H-pyrazolo[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

N-[4-(3,4-Dimethoxy-phenyl)-5-methyl-2-phenyl-2H-pyrazol-3-yl]-acetamide
CID 988997
4-(3,4-dimethoxyphenyl)-1-(4-fluorophenyl)-6-hydroxy-3-methyl-1H-pyrazolo[3,4-b]pyridine-5-carbonitrile
CID 135456302
4-(4-hydroxy-3-methoxyphenyl)-3-methyl-6-oxo-1-phenyl-2H-pyrazolo[3,4-b]pyridine-5-carbonitrile
CID 135513636
4-(3,4-dimethoxyphenyl)-6-hydroxy-3-methyl-1-phenyl-1H-pyrazolo[3,4-b]pyridine-5-carbonitrile
CID 135519730
6-hydroxy-3-methyl-1-phenyl-4-(3,4,5-trimethoxyphenyl)-1H-pyrazolo[3,4-b]pyridine-5-carbonitrile
CID 135520784
(4R)-4-(4-hydroxy-3-methoxyphenyl)-1-(4-methoxyphenyl)-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 135845482
1-(3,5-dimethylphenyl)-4-(4-hydroxy-3-methoxyphenyl)-3-methyl-4,5-dihydro-1H-pyrazolo[3,4-b]pyridin-6-ol
CID 135653358
6,7-Dihydro-4-(4-methoxyphenyl)-3-methyl-6-oxo-1-phenyl-1H-pyrazolo[3,4-b]pyridine-5-carbonitrile
CID 135401834
4-{4-[(2-fluorobenzyl)oxy]-3-methoxyphenyl}-1-(4-methoxyphenyl)-3-methyl-4,5-dihydro-1H-pyrazolo[3,4-b]pyridin-6-ol
CID 135652316
4-(4-hydroxy-3-methoxyphenyl)-1-(4-methoxyphenyl)-3-methyl-4,5-dihydro-1H-pyrazolo[3,4-b]pyridin-6-ol
CID 135651847
3-(4-methoxyphenyl)-6-oxo-1-phenyl-7H-pyrazolo[5,4-b]pyridine-5-carbonitrile
CID 178316767
4-(3-cyclopentyloxy-4-methoxyphenyl)-1-phenyl-7H-pyrazolo[5,4-b]pyridin-6-one
CID 137249962

Frequently Asked Questions

What is the IUPAC name of 4-(3-ethoxy-4-hydroxyphenyl)-1-(4-fluorophenyl)-3-methyl-6-oxo-7H-pyrazolo[5,4-b]pyridine-5-carbonitrile?
The IUPAC name of 4-(3-ethoxy-4-hydroxyphenyl)-1-(4-fluorophenyl)-3-methyl-6-oxo-7H-pyrazolo[5,4-b]pyridine-5-carbonitrile (CID 135400122) is 4-(3-ethoxy-4-hydroxyphenyl)-1-(4-fluorophenyl)-3-methyl-6-oxo-7H-pyrazolo[5,4-b]pyridine-5-carbonitrile.
What is the SMILES notation for 4-(3-ethoxy-4-hydroxyphenyl)-1-(4-fluorophenyl)-3-methyl-6-oxo-7H-pyrazolo[5,4-b]pyridine-5-carbonitrile?
The canonical SMILES for 4-(3-ethoxy-4-hydroxyphenyl)-1-(4-fluorophenyl)-3-methyl-6-oxo-7H-pyrazolo[5,4-b]pyridine-5-carbonitrile is CCOc1cc(-c2c(C#N)c(=O)[nH]c3c2c(C)nn3-c2ccc(F)cc2)ccc1O.
What is the InChIKey of 4-(3-ethoxy-4-hydroxyphenyl)-1-(4-fluorophenyl)-3-methyl-6-oxo-7H-pyrazolo[5,4-b]pyridine-5-carbonitrile?
The InChIKey is BMQCEVMMDFTZMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17FN4O3/c1-3-30-18-10-13(4-9-17(18)28)20-16(11-24)22(29)25-21-19(20)12(2)26-27(21)15-7-5-14(23)6-8-15/h4-10,28H,3H2,1-2H3,(H,25,29).
What are the key properties of 4-(3-ethoxy-4-hydroxyphenyl)-1-(4-fluorophenyl)-3-methyl-6-oxo-7H-pyrazolo[5,4-b]pyridine-5-carbonitrile?
4-(3-ethoxy-4-hydroxyphenyl)-1-(4-fluorophenyl)-3-methyl-6-oxo-7H-pyrazolo[5,4-b]pyridine-5-carbonitrile has a molecular weight of 404.40 g/mol, XLogP of 3.80, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-ethoxy-4-hydroxyphenyl)-1-(4-fluorophenyl)-3-methyl-6-oxo-7H-pyrazolo[5,4-b]pyridine-5-carbonitrile is sourced from PubChem (CID 135400122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).