4-(4-methoxyphenyl)-6-(4-methylphenyl)-1-phenyl-3-pyridin-3-ylpyrazolo[5,4-b]pyridine-5-carbonitrile

C32H23N5O — CID 57328339

IUPAC4-(4-methoxyphenyl)-6-(4-methylphenyl)-1-phenyl-3-pyridin-3-ylpyrazolo[5,4-b]pyridine-5-carbonitrile
SMILESCOc1ccc(-c2c(C#N)c(-c3ccc(C)cc3)nc3c2c(-c2cccnc2)nn3-c2ccccc2)cc1
InChIInChI=1S/C32H23N5O/c1-21-10-12-23(13-11-21)30-27(19-33)28(22-14-16-26(38-2)17-15-22)29-31(24-7-6-18-34-20-24)36-37(32(29)35-30)25-8-4-3-5-9-25/h3-18,20H,1-2H3
InChIKeyQINPIJKUTFAKSR-UHFFFAOYSA-N
MW493.57 g/mol
LogP7.01
Rot. Bonds5

About 4-(4-methoxyphenyl)-6-(4-methylphenyl)-1-phenyl-3-pyridin-3-ylpyrazolo[5,4-b]pyridine-5-carbonitrile

4-(4-methoxyphenyl)-6-(4-methylphenyl)-1-phenyl-3-pyridin-3-ylpyrazolo[5,4-b]pyridine-5-carbonitrile (PubChem CID 57328339) has the molecular formula C32H23N5O and a molecular weight of 493.57 g/mol. Its IUPAC name is 4-(4-methoxyphenyl)-6-(4-methylphenyl)-1-phenyl-3-pyridin-3-ylpyrazolo[5,4-b]pyridine-5-carbonitrile.

Molecular Properties

Compound Name4-(4-methoxyphenyl)-6-(4-methylphenyl)-1-phenyl-3-pyridin-3-ylpyrazolo[5,4-b]pyridine-5-carbonitrile
PubChem CID57328339
Molecular FormulaC32H23N5O
Molecular Weight493.57 g/mol
Exact Mass493.19
IUPAC Name4-(4-methoxyphenyl)-6-(4-methylphenyl)-1-phenyl-3-pyridin-3-ylpyrazolo[5,4-b]pyridine-5-carbonitrile
SMILESCOc1ccc(-c2c(C#N)c(-c3ccc(C)cc3)nc3c2c(-c2cccnc2)nn3-c2ccccc2)cc1
InChIInChI=1S/C32H23N5O/c1-21-10-12-23(13-11-21)30-27(19-33)28(22-14-16-26(38-2)17-15-22)29-31(24-7-6-18-34-20-24)36-37(32(29)35-30)25-8-4-3-5-9-25/h3-18,20H,1-2H3
InChIKeyQINPIJKUTFAKSR-UHFFFAOYSA-N
XLogP7.01
TPSA76.62 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500493.57
LogP ≤ 57.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(4-methoxyphenyl)-6-(4-methylphenyl)-1-phenyl-3-pyridin-3-ylpyrazolo[5,4-b]pyridine-5-carbonitrile?
The IUPAC name of 4-(4-methoxyphenyl)-6-(4-methylphenyl)-1-phenyl-3-pyridin-3-ylpyrazolo[5,4-b]pyridine-5-carbonitrile (CID 57328339) is 4-(4-methoxyphenyl)-6-(4-methylphenyl)-1-phenyl-3-pyridin-3-ylpyrazolo[5,4-b]pyridine-5-carbonitrile.
What is the SMILES notation for 4-(4-methoxyphenyl)-6-(4-methylphenyl)-1-phenyl-3-pyridin-3-ylpyrazolo[5,4-b]pyridine-5-carbonitrile?
The canonical SMILES for 4-(4-methoxyphenyl)-6-(4-methylphenyl)-1-phenyl-3-pyridin-3-ylpyrazolo[5,4-b]pyridine-5-carbonitrile is COc1ccc(-c2c(C#N)c(-c3ccc(C)cc3)nc3c2c(-c2cccnc2)nn3-c2ccccc2)cc1.
What is the InChIKey of 4-(4-methoxyphenyl)-6-(4-methylphenyl)-1-phenyl-3-pyridin-3-ylpyrazolo[5,4-b]pyridine-5-carbonitrile?
The InChIKey is QINPIJKUTFAKSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H23N5O/c1-21-10-12-23(13-11-21)30-27(19-33)28(22-14-16-26(38-2)17-15-22)29-31(24-7-6-18-34-20-24)36-37(32(29)35-30)25-8-4-3-5-9-25/h3-18,20H,1-2H3.
What are the key properties of 4-(4-methoxyphenyl)-6-(4-methylphenyl)-1-phenyl-3-pyridin-3-ylpyrazolo[5,4-b]pyridine-5-carbonitrile?
4-(4-methoxyphenyl)-6-(4-methylphenyl)-1-phenyl-3-pyridin-3-ylpyrazolo[5,4-b]pyridine-5-carbonitrile has a molecular weight of 493.57 g/mol, XLogP of 7.01, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methoxyphenyl)-6-(4-methylphenyl)-1-phenyl-3-pyridin-3-ylpyrazolo[5,4-b]pyridine-5-carbonitrile is sourced from PubChem (CID 57328339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).