4-[3-(4-piperidin-1-ylphenyl)-2H-pyrazolo[3,4-b]pyridin-6-yl]phenol

C23H22N4O — CID 155516809

IUPAC4-[3-(4-piperidin-1-ylphenyl)-2H-pyrazolo[3,4-b]pyridin-6-yl]phenol
SMILESOc1ccc(-c2ccc3c(-c4ccc(N5CCCCC5)cc4)[nH]nc3n2)cc1
InChIInChI=1S/C23H22N4O/c28-19-10-6-16(7-11-19)21-13-12-20-22(25-26-23(20)24-21)17-4-8-18(9-5-17)27-14-2-1-3-15-27/h4-13,28H,1-3,14-15H2,(H,24,25,26)
InChIKeyFJYQWSLNELXTIR-UHFFFAOYSA-N
MW370.46 g/mol
LogP4.99
Rot. Bonds3

About 4-[3-(4-piperidin-1-ylphenyl)-2H-pyrazolo[3,4-b]pyridin-6-yl]phenol

4-[3-(4-piperidin-1-ylphenyl)-2H-pyrazolo[3,4-b]pyridin-6-yl]phenol (PubChem CID 155516809) has the molecular formula C23H22N4O and a molecular weight of 370.46 g/mol. Its IUPAC name is 4-[3-(4-piperidin-1-ylphenyl)-2H-pyrazolo[3,4-b]pyridin-6-yl]phenol.

Molecular Properties

Compound Name4-[3-(4-piperidin-1-ylphenyl)-2H-pyrazolo[3,4-b]pyridin-6-yl]phenol
PubChem CID155516809
Molecular FormulaC23H22N4O
Molecular Weight370.46 g/mol
Exact Mass370.18
IUPAC Name4-[3-(4-piperidin-1-ylphenyl)-2H-pyrazolo[3,4-b]pyridin-6-yl]phenol
SMILESOc1ccc(-c2ccc3c(-c4ccc(N5CCCCC5)cc4)[nH]nc3n2)cc1
InChIInChI=1S/C23H22N4O/c28-19-10-6-16(7-11-19)21-13-12-20-22(25-26-23(20)24-21)17-4-8-18(9-5-17)27-14-2-1-3-15-27/h4-13,28H,1-3,14-15H2,(H,24,25,26)
InChIKeyFJYQWSLNELXTIR-UHFFFAOYSA-N
XLogP4.99
TPSA65.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.46
LogP ≤ 54.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(4-piperidin-1-ylphenyl)-2H-pyrazolo[3,4-b]pyridin-6-yl]phenol?
The IUPAC name of 4-[3-(4-piperidin-1-ylphenyl)-2H-pyrazolo[3,4-b]pyridin-6-yl]phenol (CID 155516809) is 4-[3-(4-piperidin-1-ylphenyl)-2H-pyrazolo[3,4-b]pyridin-6-yl]phenol.
What is the SMILES notation for 4-[3-(4-piperidin-1-ylphenyl)-2H-pyrazolo[3,4-b]pyridin-6-yl]phenol?
The canonical SMILES for 4-[3-(4-piperidin-1-ylphenyl)-2H-pyrazolo[3,4-b]pyridin-6-yl]phenol is Oc1ccc(-c2ccc3c(-c4ccc(N5CCCCC5)cc4)[nH]nc3n2)cc1.
What is the InChIKey of 4-[3-(4-piperidin-1-ylphenyl)-2H-pyrazolo[3,4-b]pyridin-6-yl]phenol?
The InChIKey is FJYQWSLNELXTIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N4O/c28-19-10-6-16(7-11-19)21-13-12-20-22(25-26-23(20)24-21)17-4-8-18(9-5-17)27-14-2-1-3-15-27/h4-13,28H,1-3,14-15H2,(H,24,25,26).
What are the key properties of 4-[3-(4-piperidin-1-ylphenyl)-2H-pyrazolo[3,4-b]pyridin-6-yl]phenol?
4-[3-(4-piperidin-1-ylphenyl)-2H-pyrazolo[3,4-b]pyridin-6-yl]phenol has a molecular weight of 370.46 g/mol, XLogP of 4.99, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(4-piperidin-1-ylphenyl)-2H-pyrazolo[3,4-b]pyridin-6-yl]phenol is sourced from PubChem (CID 155516809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).