6-(4-methoxyphenyl)-3-(4-piperazin-1-ylphenyl)-2H-pyrazolo[3,4-b]pyridine

C23H23N5O — CID 57397370

IUPAC6-(4-methoxyphenyl)-3-(4-piperazin-1-ylphenyl)-2H-pyrazolo[3,4-b]pyridine
SMILESCOc1ccc(-c2ccc3c(-c4ccc(N5CCNCC5)cc4)[nH]nc3n2)cc1
InChIInChI=1S/C23H23N5O/c1-29-19-8-4-16(5-9-19)21-11-10-20-22(26-27-23(20)25-21)17-2-6-18(7-3-17)28-14-12-24-13-15-28/h2-11,24H,12-15H2,1H3,(H,25,26,27)
InChIKeyHRNIERYISAXUTJ-UHFFFAOYSA-N
MW385.47 g/mol
LogP3.71
Rot. Bonds4

About 6-(4-methoxyphenyl)-3-(4-piperazin-1-ylphenyl)-2H-pyrazolo[3,4-b]pyridine

6-(4-methoxyphenyl)-3-(4-piperazin-1-ylphenyl)-2H-pyrazolo[3,4-b]pyridine (PubChem CID 57397370) has the molecular formula C23H23N5O and a molecular weight of 385.47 g/mol. Its IUPAC name is 6-(4-methoxyphenyl)-3-(4-piperazin-1-ylphenyl)-2H-pyrazolo[3,4-b]pyridine.

Molecular Properties

Compound Name6-(4-methoxyphenyl)-3-(4-piperazin-1-ylphenyl)-2H-pyrazolo[3,4-b]pyridine
PubChem CID57397370
Molecular FormulaC23H23N5O
Molecular Weight385.47 g/mol
Exact Mass385.19
IUPAC Name6-(4-methoxyphenyl)-3-(4-piperazin-1-ylphenyl)-2H-pyrazolo[3,4-b]pyridine
SMILESCOc1ccc(-c2ccc3c(-c4ccc(N5CCNCC5)cc4)[nH]nc3n2)cc1
InChIInChI=1S/C23H23N5O/c1-29-19-8-4-16(5-9-19)21-11-10-20-22(26-27-23(20)25-21)17-2-6-18(7-3-17)28-14-12-24-13-15-28/h2-11,24H,12-15H2,1H3,(H,25,26,27)
InChIKeyHRNIERYISAXUTJ-UHFFFAOYSA-N
XLogP3.71
TPSA66.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.47
LogP ≤ 53.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(4-methoxyphenyl)-3-(4-piperazin-1-ylphenyl)-2H-pyrazolo[3,4-b]pyridine?
The IUPAC name of 6-(4-methoxyphenyl)-3-(4-piperazin-1-ylphenyl)-2H-pyrazolo[3,4-b]pyridine (CID 57397370) is 6-(4-methoxyphenyl)-3-(4-piperazin-1-ylphenyl)-2H-pyrazolo[3,4-b]pyridine.
What is the SMILES notation for 6-(4-methoxyphenyl)-3-(4-piperazin-1-ylphenyl)-2H-pyrazolo[3,4-b]pyridine?
The canonical SMILES for 6-(4-methoxyphenyl)-3-(4-piperazin-1-ylphenyl)-2H-pyrazolo[3,4-b]pyridine is COc1ccc(-c2ccc3c(-c4ccc(N5CCNCC5)cc4)[nH]nc3n2)cc1.
What is the InChIKey of 6-(4-methoxyphenyl)-3-(4-piperazin-1-ylphenyl)-2H-pyrazolo[3,4-b]pyridine?
The InChIKey is HRNIERYISAXUTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N5O/c1-29-19-8-4-16(5-9-19)21-11-10-20-22(26-27-23(20)25-21)17-2-6-18(7-3-17)28-14-12-24-13-15-28/h2-11,24H,12-15H2,1H3,(H,25,26,27).
What are the key properties of 6-(4-methoxyphenyl)-3-(4-piperazin-1-ylphenyl)-2H-pyrazolo[3,4-b]pyridine?
6-(4-methoxyphenyl)-3-(4-piperazin-1-ylphenyl)-2H-pyrazolo[3,4-b]pyridine has a molecular weight of 385.47 g/mol, XLogP of 3.71, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-methoxyphenyl)-3-(4-piperazin-1-ylphenyl)-2H-pyrazolo[3,4-b]pyridine is sourced from PubChem (CID 57397370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).