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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Related Compounds

CID 6918403
CID 6918403
CID 135565635
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CID 135402835
CID 135402835
CID 135566382
CID 135566382
CID 46880075
CID 46880075
CID 46880076
CID 46880076
CID 46880102
CID 46880102
CID 46880104
CID 46880104
CID 136250327
CID 136250327
CID 135435014
CID 135435014
CID 46880074
CID 46880074
CID 655783
CID 655783

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).