4-(4-methoxyphenyl)-3-methyl-6-(2-oxopropoxy)-1-phenylpyrazolo[5,4-b]pyridine-5-carbonitrile

C24H20N4O3 — CID 7023171

IUPAC4-(4-methoxyphenyl)-3-methyl-6-(2-oxopropoxy)-1-phenylpyrazolo[5,4-b]pyridine-5-carbonitrile
SMILESCOc1ccc(-c2c(C#N)c(OCC(C)=O)nc3c2c(C)nn3-c2ccccc2)cc1
InChIInChI=1S/C24H20N4O3/c1-15(29)14-31-24-20(13-25)22(17-9-11-19(30-3)12-10-17)21-16(2)27-28(23(21)26-24)18-7-5-4-6-8-18/h4-12H,14H2,1-3H3
InChIKeyZIKDTDRPIYWGFS-UHFFFAOYSA-N
MW412.45 g/mol
LogP4.24
Rot. Bonds6

About 4-(4-methoxyphenyl)-3-methyl-6-(2-oxopropoxy)-1-phenylpyrazolo[5,4-b]pyridine-5-carbonitrile

4-(4-methoxyphenyl)-3-methyl-6-(2-oxopropoxy)-1-phenylpyrazolo[5,4-b]pyridine-5-carbonitrile (PubChem CID 7023171) has the molecular formula C24H20N4O3 and a molecular weight of 412.45 g/mol. Its IUPAC name is 4-(4-methoxyphenyl)-3-methyl-6-(2-oxopropoxy)-1-phenylpyrazolo[5,4-b]pyridine-5-carbonitrile.

Molecular Properties

Compound Name4-(4-methoxyphenyl)-3-methyl-6-(2-oxopropoxy)-1-phenylpyrazolo[5,4-b]pyridine-5-carbonitrile
PubChem CID7023171
Molecular FormulaC24H20N4O3
Molecular Weight412.45 g/mol
Exact Mass412.15
IUPAC Name4-(4-methoxyphenyl)-3-methyl-6-(2-oxopropoxy)-1-phenylpyrazolo[5,4-b]pyridine-5-carbonitrile
SMILESCOc1ccc(-c2c(C#N)c(OCC(C)=O)nc3c2c(C)nn3-c2ccccc2)cc1
InChIInChI=1S/C24H20N4O3/c1-15(29)14-31-24-20(13-25)22(17-9-11-19(30-3)12-10-17)21-16(2)27-28(23(21)26-24)18-7-5-4-6-8-18/h4-12H,14H2,1-3H3
InChIKeyZIKDTDRPIYWGFS-UHFFFAOYSA-N
XLogP4.24
TPSA90.03 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.45
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-(4-methoxyphenyl)-3-methyl-6-(2-oxopropoxy)-1-phenylpyrazolo[5,4-b]pyridine-5-carbonitrile?
The IUPAC name of 4-(4-methoxyphenyl)-3-methyl-6-(2-oxopropoxy)-1-phenylpyrazolo[5,4-b]pyridine-5-carbonitrile (CID 7023171) is 4-(4-methoxyphenyl)-3-methyl-6-(2-oxopropoxy)-1-phenylpyrazolo[5,4-b]pyridine-5-carbonitrile.
What is the SMILES notation for 4-(4-methoxyphenyl)-3-methyl-6-(2-oxopropoxy)-1-phenylpyrazolo[5,4-b]pyridine-5-carbonitrile?
The canonical SMILES for 4-(4-methoxyphenyl)-3-methyl-6-(2-oxopropoxy)-1-phenylpyrazolo[5,4-b]pyridine-5-carbonitrile is COc1ccc(-c2c(C#N)c(OCC(C)=O)nc3c2c(C)nn3-c2ccccc2)cc1.
What is the InChIKey of 4-(4-methoxyphenyl)-3-methyl-6-(2-oxopropoxy)-1-phenylpyrazolo[5,4-b]pyridine-5-carbonitrile?
The InChIKey is ZIKDTDRPIYWGFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N4O3/c1-15(29)14-31-24-20(13-25)22(17-9-11-19(30-3)12-10-17)21-16(2)27-28(23(21)26-24)18-7-5-4-6-8-18/h4-12H,14H2,1-3H3.
What are the key properties of 4-(4-methoxyphenyl)-3-methyl-6-(2-oxopropoxy)-1-phenylpyrazolo[5,4-b]pyridine-5-carbonitrile?
4-(4-methoxyphenyl)-3-methyl-6-(2-oxopropoxy)-1-phenylpyrazolo[5,4-b]pyridine-5-carbonitrile has a molecular weight of 412.45 g/mol, XLogP of 4.24, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methoxyphenyl)-3-methyl-6-(2-oxopropoxy)-1-phenylpyrazolo[5,4-b]pyridine-5-carbonitrile is sourced from PubChem (CID 7023171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).