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

C18H13N3O — CID 155549214

IUPAC4-(3-phenyl-2H-pyrazolo[3,4-b]pyridin-6-yl)phenol
SMILESOc1ccc(-c2ccc3c(-c4ccccc4)[nH]nc3n2)cc1
InChIInChI=1S/C18H13N3O/c22-14-8-6-12(7-9-14)16-11-10-15-17(20-21-18(15)19-16)13-4-2-1-3-5-13/h1-11,22H,(H,19,20,21)
InChIKeyKQDOGAYYOHHBGL-UHFFFAOYSA-N
MW287.32 g/mol
LogP4.00
Rot. Bonds2

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

4-(3-phenyl-2H-pyrazolo[3,4-b]pyridin-6-yl)phenol (PubChem CID 155549214) has the molecular formula C18H13N3O and a molecular weight of 287.32 g/mol. Its IUPAC name is 4-(3-phenyl-2H-pyrazolo[3,4-b]pyridin-6-yl)phenol.

Molecular Properties

Compound Name4-(3-phenyl-2H-pyrazolo[3,4-b]pyridin-6-yl)phenol
PubChem CID155549214
Molecular FormulaC18H13N3O
Molecular Weight287.32 g/mol
Exact Mass287.11
IUPAC Name4-(3-phenyl-2H-pyrazolo[3,4-b]pyridin-6-yl)phenol
SMILESOc1ccc(-c2ccc3c(-c4ccccc4)[nH]nc3n2)cc1
InChIInChI=1S/C18H13N3O/c22-14-8-6-12(7-9-14)16-11-10-15-17(20-21-18(15)19-16)13-4-2-1-3-5-13/h1-11,22H,(H,19,20,21)
InChIKeyKQDOGAYYOHHBGL-UHFFFAOYSA-N
XLogP4.00
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 54.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(3-phenyl-2H-pyrazolo[3,4-b]pyridin-6-yl)phenol?
The IUPAC name of 4-(3-phenyl-2H-pyrazolo[3,4-b]pyridin-6-yl)phenol (CID 155549214) is 4-(3-phenyl-2H-pyrazolo[3,4-b]pyridin-6-yl)phenol.
What is the SMILES notation for 4-(3-phenyl-2H-pyrazolo[3,4-b]pyridin-6-yl)phenol?
The canonical SMILES for 4-(3-phenyl-2H-pyrazolo[3,4-b]pyridin-6-yl)phenol is Oc1ccc(-c2ccc3c(-c4ccccc4)[nH]nc3n2)cc1.
What is the InChIKey of 4-(3-phenyl-2H-pyrazolo[3,4-b]pyridin-6-yl)phenol?
The InChIKey is KQDOGAYYOHHBGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13N3O/c22-14-8-6-12(7-9-14)16-11-10-15-17(20-21-18(15)19-16)13-4-2-1-3-5-13/h1-11,22H,(H,19,20,21).
What are the key properties of 4-(3-phenyl-2H-pyrazolo[3,4-b]pyridin-6-yl)phenol?
4-(3-phenyl-2H-pyrazolo[3,4-b]pyridin-6-yl)phenol has a molecular weight of 287.32 g/mol, XLogP of 4.00, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-phenyl-2H-pyrazolo[3,4-b]pyridin-6-yl)phenol is sourced from PubChem (CID 155549214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).