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

C20H20N6O — CID 155525009

IUPAC4-[3-(1-piperidin-4-ylpyrazol-4-yl)-2H-pyrazolo[3,4-b]pyridin-6-yl]phenol
SMILESOc1ccc(-c2ccc3c(-c4cnn(C5CCNCC5)c4)[nH]nc3n2)cc1
InChIInChI=1S/C20H20N6O/c27-16-3-1-13(2-4-16)18-6-5-17-19(24-25-20(17)23-18)14-11-22-26(12-14)15-7-9-21-10-8-15/h1-6,11-12,15,21,27H,7-10H2,(H,23,24,25)
InChIKeyLUKMDDZOHOANSJ-UHFFFAOYSA-N
MW360.42 g/mol
LogP3.12
Rot. Bonds3

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

4-[3-(1-piperidin-4-ylpyrazol-4-yl)-2H-pyrazolo[3,4-b]pyridin-6-yl]phenol (PubChem CID 155525009) has the molecular formula C20H20N6O and a molecular weight of 360.42 g/mol. Its IUPAC name is 4-[3-(1-piperidin-4-ylpyrazol-4-yl)-2H-pyrazolo[3,4-b]pyridin-6-yl]phenol.

Molecular Properties

Compound Name4-[3-(1-piperidin-4-ylpyrazol-4-yl)-2H-pyrazolo[3,4-b]pyridin-6-yl]phenol
PubChem CID155525009
Molecular FormulaC20H20N6O
Molecular Weight360.42 g/mol
Exact Mass360.17
IUPAC Name4-[3-(1-piperidin-4-ylpyrazol-4-yl)-2H-pyrazolo[3,4-b]pyridin-6-yl]phenol
SMILESOc1ccc(-c2ccc3c(-c4cnn(C5CCNCC5)c4)[nH]nc3n2)cc1
InChIInChI=1S/C20H20N6O/c27-16-3-1-13(2-4-16)18-6-5-17-19(24-25-20(17)23-18)14-11-22-26(12-14)15-7-9-21-10-8-15/h1-6,11-12,15,21,27H,7-10H2,(H,23,24,25)
InChIKeyLUKMDDZOHOANSJ-UHFFFAOYSA-N
XLogP3.12
TPSA91.65 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.42
LogP ≤ 53.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(1-piperidin-4-ylpyrazol-4-yl)-2H-pyrazolo[3,4-b]pyridin-6-yl]phenol?
The IUPAC name of 4-[3-(1-piperidin-4-ylpyrazol-4-yl)-2H-pyrazolo[3,4-b]pyridin-6-yl]phenol (CID 155525009) is 4-[3-(1-piperidin-4-ylpyrazol-4-yl)-2H-pyrazolo[3,4-b]pyridin-6-yl]phenol.
What is the SMILES notation for 4-[3-(1-piperidin-4-ylpyrazol-4-yl)-2H-pyrazolo[3,4-b]pyridin-6-yl]phenol?
The canonical SMILES for 4-[3-(1-piperidin-4-ylpyrazol-4-yl)-2H-pyrazolo[3,4-b]pyridin-6-yl]phenol is Oc1ccc(-c2ccc3c(-c4cnn(C5CCNCC5)c4)[nH]nc3n2)cc1.
What is the InChIKey of 4-[3-(1-piperidin-4-ylpyrazol-4-yl)-2H-pyrazolo[3,4-b]pyridin-6-yl]phenol?
The InChIKey is LUKMDDZOHOANSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N6O/c27-16-3-1-13(2-4-16)18-6-5-17-19(24-25-20(17)23-18)14-11-22-26(12-14)15-7-9-21-10-8-15/h1-6,11-12,15,21,27H,7-10H2,(H,23,24,25).
What are the key properties of 4-[3-(1-piperidin-4-ylpyrazol-4-yl)-2H-pyrazolo[3,4-b]pyridin-6-yl]phenol?
4-[3-(1-piperidin-4-ylpyrazol-4-yl)-2H-pyrazolo[3,4-b]pyridin-6-yl]phenol has a molecular weight of 360.42 g/mol, XLogP of 3.12, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(1-piperidin-4-ylpyrazol-4-yl)-2H-pyrazolo[3,4-b]pyridin-6-yl]phenol is sourced from PubChem (CID 155525009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).