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

C18H13N3O2 — CID 164619573

IUPAC3-[3-(3-hydroxyphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]phenol
SMILESOc1cccc(-c2cnc3n[nH]c(-c4cccc(O)c4)c3c2)c1
InChIInChI=1S/C18H13N3O2/c22-14-5-1-3-11(7-14)13-9-16-17(20-21-18(16)19-10-13)12-4-2-6-15(23)8-12/h1-10,22-23H,(H,19,20,21)
InChIKeyTYVKILZNVZGMIM-UHFFFAOYSA-N
MW303.32 g/mol
LogP3.70
Rot. Bonds2

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

3-[3-(3-hydroxyphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]phenol (PubChem CID 164619573) has the molecular formula C18H13N3O2 and a molecular weight of 303.32 g/mol. Its IUPAC name is 3-[3-(3-hydroxyphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]phenol.

Molecular Properties

Compound Name3-[3-(3-hydroxyphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]phenol
PubChem CID164619573
Molecular FormulaC18H13N3O2
Molecular Weight303.32 g/mol
Exact Mass303.10
IUPAC Name3-[3-(3-hydroxyphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]phenol
SMILESOc1cccc(-c2cnc3n[nH]c(-c4cccc(O)c4)c3c2)c1
InChIInChI=1S/C18H13N3O2/c22-14-5-1-3-11(7-14)13-9-16-17(20-21-18(16)19-10-13)12-4-2-6-15(23)8-12/h1-10,22-23H,(H,19,20,21)
InChIKeyTYVKILZNVZGMIM-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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[3-(3-hydroxyphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]phenol?
The IUPAC name of 3-[3-(3-hydroxyphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]phenol (CID 164619573) is 3-[3-(3-hydroxyphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]phenol.
What is the SMILES notation for 3-[3-(3-hydroxyphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]phenol?
The canonical SMILES for 3-[3-(3-hydroxyphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]phenol is Oc1cccc(-c2cnc3n[nH]c(-c4cccc(O)c4)c3c2)c1.
What is the InChIKey of 3-[3-(3-hydroxyphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]phenol?
The InChIKey is TYVKILZNVZGMIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13N3O2/c22-14-5-1-3-11(7-14)13-9-16-17(20-21-18(16)19-10-13)12-4-2-6-15(23)8-12/h1-10,22-23H,(H,19,20,21).
What are the key properties of 3-[3-(3-hydroxyphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]phenol?
3-[3-(3-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 3-[3-(3-hydroxyphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]phenol is sourced from PubChem (CID 164619573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).