4-[3-(4-hydroxyphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]phenol

C18H13N3O2 — CID 164611345

IUPAC4-[3-(4-hydroxyphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]phenol
SMILESOc1ccc(-c2cnc3n[nH]c(-c4ccc(O)cc4)c3c2)cc1
InChIInChI=1S/C18H13N3O2/c22-14-5-1-11(2-6-14)13-9-16-17(20-21-18(16)19-10-13)12-3-7-15(23)8-4-12/h1-10,22-23H,(H,19,20,21)
InChIKeyBNPUEXLGIHXXJP-UHFFFAOYSA-N
MW303.32 g/mol
LogP3.70
Rot. Bonds2

About 4-[3-(4-hydroxyphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]phenol

4-[3-(4-hydroxyphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]phenol (PubChem CID 164611345) has the molecular formula C18H13N3O2 and a molecular weight of 303.32 g/mol. Its IUPAC name is 4-[3-(4-hydroxyphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]phenol.

Molecular Properties

Compound Name4-[3-(4-hydroxyphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]phenol
PubChem CID164611345
Molecular FormulaC18H13N3O2
Molecular Weight303.32 g/mol
Exact Mass303.10
IUPAC Name4-[3-(4-hydroxyphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]phenol
SMILESOc1ccc(-c2cnc3n[nH]c(-c4ccc(O)cc4)c3c2)cc1
InChIInChI=1S/C18H13N3O2/c22-14-5-1-11(2-6-14)13-9-16-17(20-21-18(16)19-10-13)12-3-7-15(23)8-4-12/h1-10,22-23H,(H,19,20,21)
InChIKeyBNPUEXLGIHXXJP-UHFFFAOYSA-N
XLogP3.70
TPSA82.03 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.32
LogP ≤ 53.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(4-hydroxyphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]phenol?
The IUPAC name of 4-[3-(4-hydroxyphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]phenol (CID 164611345) is 4-[3-(4-hydroxyphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]phenol.
What is the SMILES notation for 4-[3-(4-hydroxyphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]phenol?
The canonical SMILES for 4-[3-(4-hydroxyphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]phenol is Oc1ccc(-c2cnc3n[nH]c(-c4ccc(O)cc4)c3c2)cc1.
What is the InChIKey of 4-[3-(4-hydroxyphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]phenol?
The InChIKey is BNPUEXLGIHXXJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13N3O2/c22-14-5-1-11(2-6-14)13-9-16-17(20-21-18(16)19-10-13)12-3-7-15(23)8-4-12/h1-10,22-23H,(H,19,20,21).
What are the key properties of 4-[3-(4-hydroxyphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]phenol?
4-[3-(4-hydroxyphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]phenol has a molecular weight of 303.32 g/mol, XLogP of 3.70, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(4-hydroxyphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]phenol is sourced from PubChem (CID 164611345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).