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

C23H20N4O4 — CID 135520784

IUPAC3-methyl-6-oxo-1-phenyl-4-(3,4,5-trimethoxyphenyl)-7H-pyrazolo[5,4-b]pyridine-5-carbonitrile
SMILESCOc1cc(-c2c(C#N)c(=O)[nH]c3c2c(C)nn3-c2ccccc2)cc(OC)c1OC
InChIInChI=1S/C23H20N4O4/c1-13-19-20(14-10-17(29-2)21(31-4)18(11-14)30-3)16(12-24)23(28)25-22(19)27(26-13)15-8-6-5-7-9-15/h5-11H,1-4H3,(H,25,28)
InChIKeyZKSYGECSIXPPIH-UHFFFAOYSA-N
MW416.44 g/mol
LogP3.59
Rot. Bonds5

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

3-methyl-6-oxo-1-phenyl-4-(3,4,5-trimethoxyphenyl)-7H-pyrazolo[5,4-b]pyridine-5-carbonitrile (PubChem CID 135520784) has the molecular formula C23H20N4O4 and a molecular weight of 416.44 g/mol. Its IUPAC name is 3-methyl-6-oxo-1-phenyl-4-(3,4,5-trimethoxyphenyl)-7H-pyrazolo[5,4-b]pyridine-5-carbonitrile.

Molecular Properties

Compound Name3-methyl-6-oxo-1-phenyl-4-(3,4,5-trimethoxyphenyl)-7H-pyrazolo[5,4-b]pyridine-5-carbonitrile
PubChem CID135520784
Molecular FormulaC23H20N4O4
Molecular Weight416.44 g/mol
Exact Mass416.15
IUPAC Name3-methyl-6-oxo-1-phenyl-4-(3,4,5-trimethoxyphenyl)-7H-pyrazolo[5,4-b]pyridine-5-carbonitrile
SMILESCOc1cc(-c2c(C#N)c(=O)[nH]c3c2c(C)nn3-c2ccccc2)cc(OC)c1OC
InChIInChI=1S/C23H20N4O4/c1-13-19-20(14-10-17(29-2)21(31-4)18(11-14)30-3)16(12-24)23(28)25-22(19)27(26-13)15-8-6-5-7-9-15/h5-11H,1-4H3,(H,25,28)
InChIKeyZKSYGECSIXPPIH-UHFFFAOYSA-N
XLogP3.59
TPSA102.16 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.44
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-6-oxo-1-phenyl-4-(3,4,5-trimethoxyphenyl)-7H-pyrazolo[5,4-b]pyridine-5-carbonitrile?
The IUPAC name of 3-methyl-6-oxo-1-phenyl-4-(3,4,5-trimethoxyphenyl)-7H-pyrazolo[5,4-b]pyridine-5-carbonitrile (CID 135520784) is 3-methyl-6-oxo-1-phenyl-4-(3,4,5-trimethoxyphenyl)-7H-pyrazolo[5,4-b]pyridine-5-carbonitrile.
What is the SMILES notation for 3-methyl-6-oxo-1-phenyl-4-(3,4,5-trimethoxyphenyl)-7H-pyrazolo[5,4-b]pyridine-5-carbonitrile?
The canonical SMILES for 3-methyl-6-oxo-1-phenyl-4-(3,4,5-trimethoxyphenyl)-7H-pyrazolo[5,4-b]pyridine-5-carbonitrile is COc1cc(-c2c(C#N)c(=O)[nH]c3c2c(C)nn3-c2ccccc2)cc(OC)c1OC.
What is the InChIKey of 3-methyl-6-oxo-1-phenyl-4-(3,4,5-trimethoxyphenyl)-7H-pyrazolo[5,4-b]pyridine-5-carbonitrile?
The InChIKey is ZKSYGECSIXPPIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N4O4/c1-13-19-20(14-10-17(29-2)21(31-4)18(11-14)30-3)16(12-24)23(28)25-22(19)27(26-13)15-8-6-5-7-9-15/h5-11H,1-4H3,(H,25,28).
What are the key properties of 3-methyl-6-oxo-1-phenyl-4-(3,4,5-trimethoxyphenyl)-7H-pyrazolo[5,4-b]pyridine-5-carbonitrile?
3-methyl-6-oxo-1-phenyl-4-(3,4,5-trimethoxyphenyl)-7H-pyrazolo[5,4-b]pyridine-5-carbonitrile has a molecular weight of 416.44 g/mol, XLogP of 3.59, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-6-oxo-1-phenyl-4-(3,4,5-trimethoxyphenyl)-7H-pyrazolo[5,4-b]pyridine-5-carbonitrile is sourced from PubChem (CID 135520784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).