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

C21H16N4O2 — CID 135401834

IUPAC4-(4-methoxyphenyl)-3-methyl-6-oxo-1-phenyl-7H-pyrazolo[5,4-b]pyridine-5-carbonitrile
SMILESCOc1ccc(-c2c(C#N)c(=O)[nH]c3c2c(C)nn3-c2ccccc2)cc1
InChIInChI=1S/C21H16N4O2/c1-13-18-19(14-8-10-16(27-2)11-9-14)17(12-22)21(26)23-20(18)25(24-13)15-6-4-3-5-7-15/h3-11H,1-2H3,(H,23,26)
InChIKeyAHPGYQBGCKKBLD-UHFFFAOYSA-N
MW356.39 g/mol
LogP3.57
Rot. Bonds3

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

4-(4-methoxyphenyl)-3-methyl-6-oxo-1-phenyl-7H-pyrazolo[5,4-b]pyridine-5-carbonitrile (PubChem CID 135401834) has the molecular formula C21H16N4O2 and a molecular weight of 356.39 g/mol. Its IUPAC name is 4-(4-methoxyphenyl)-3-methyl-6-oxo-1-phenyl-7H-pyrazolo[5,4-b]pyridine-5-carbonitrile.

Molecular Properties

Compound Name4-(4-methoxyphenyl)-3-methyl-6-oxo-1-phenyl-7H-pyrazolo[5,4-b]pyridine-5-carbonitrile
PubChem CID135401834
Molecular FormulaC21H16N4O2
Molecular Weight356.39 g/mol
Exact Mass356.13
IUPAC Name4-(4-methoxyphenyl)-3-methyl-6-oxo-1-phenyl-7H-pyrazolo[5,4-b]pyridine-5-carbonitrile
SMILESCOc1ccc(-c2c(C#N)c(=O)[nH]c3c2c(C)nn3-c2ccccc2)cc1
InChIInChI=1S/C21H16N4O2/c1-13-18-19(14-8-10-16(27-2)11-9-14)17(12-22)21(26)23-20(18)25(24-13)15-6-4-3-5-7-15/h3-11H,1-2H3,(H,23,26)
InChIKeyAHPGYQBGCKKBLD-UHFFFAOYSA-N
XLogP3.57
TPSA83.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.39
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(4-methoxyphenyl)-3-methyl-6-oxo-1-phenyl-7H-pyrazolo[5,4-b]pyridine-5-carbonitrile?
The IUPAC name of 4-(4-methoxyphenyl)-3-methyl-6-oxo-1-phenyl-7H-pyrazolo[5,4-b]pyridine-5-carbonitrile (CID 135401834) is 4-(4-methoxyphenyl)-3-methyl-6-oxo-1-phenyl-7H-pyrazolo[5,4-b]pyridine-5-carbonitrile.
What is the SMILES notation for 4-(4-methoxyphenyl)-3-methyl-6-oxo-1-phenyl-7H-pyrazolo[5,4-b]pyridine-5-carbonitrile?
The canonical SMILES for 4-(4-methoxyphenyl)-3-methyl-6-oxo-1-phenyl-7H-pyrazolo[5,4-b]pyridine-5-carbonitrile is COc1ccc(-c2c(C#N)c(=O)[nH]c3c2c(C)nn3-c2ccccc2)cc1.
What is the InChIKey of 4-(4-methoxyphenyl)-3-methyl-6-oxo-1-phenyl-7H-pyrazolo[5,4-b]pyridine-5-carbonitrile?
The InChIKey is AHPGYQBGCKKBLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16N4O2/c1-13-18-19(14-8-10-16(27-2)11-9-14)17(12-22)21(26)23-20(18)25(24-13)15-6-4-3-5-7-15/h3-11H,1-2H3,(H,23,26).
What are the key properties of 4-(4-methoxyphenyl)-3-methyl-6-oxo-1-phenyl-7H-pyrazolo[5,4-b]pyridine-5-carbonitrile?
4-(4-methoxyphenyl)-3-methyl-6-oxo-1-phenyl-7H-pyrazolo[5,4-b]pyridine-5-carbonitrile has a molecular weight of 356.39 g/mol, XLogP of 3.57, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methoxyphenyl)-3-methyl-6-oxo-1-phenyl-7H-pyrazolo[5,4-b]pyridine-5-carbonitrile is sourced from PubChem (CID 135401834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).