3-cyclobutyl-4-hydroxy-1-phenyl-7H-pyrazolo[5,4-b]pyridin-6-one

C16H15N3O2 — CID 137048885

IUPAC3-cyclobutyl-4-hydroxy-1-phenyl-7H-pyrazolo[5,4-b]pyridin-6-one
SMILESO=c1cc(O)c2c(C3CCC3)nn(-c3ccccc3)c2[nH]1
InChIInChI=1S/C16H15N3O2/c20-12-9-13(21)17-16-14(12)15(10-5-4-6-10)18-19(16)11-7-2-1-3-8-11/h1-3,7-10H,4-6H2,(H2,17,20,21)
InChIKeyDILZMEIFLZCHKT-UHFFFAOYSA-N
MW281.31 g/mol
LogP2.69
Rot. Bonds2

About 3-cyclobutyl-4-hydroxy-1-phenyl-7H-pyrazolo[5,4-b]pyridin-6-one

3-cyclobutyl-4-hydroxy-1-phenyl-7H-pyrazolo[5,4-b]pyridin-6-one (PubChem CID 137048885) has the molecular formula C16H15N3O2 and a molecular weight of 281.31 g/mol. Its IUPAC name is 3-cyclobutyl-4-hydroxy-1-phenyl-7H-pyrazolo[5,4-b]pyridin-6-one.

Molecular Properties

Compound Name3-cyclobutyl-4-hydroxy-1-phenyl-7H-pyrazolo[5,4-b]pyridin-6-one
PubChem CID137048885
Molecular FormulaC16H15N3O2
Molecular Weight281.31 g/mol
Exact Mass281.12
IUPAC Name3-cyclobutyl-4-hydroxy-1-phenyl-7H-pyrazolo[5,4-b]pyridin-6-one
SMILESO=c1cc(O)c2c(C3CCC3)nn(-c3ccccc3)c2[nH]1
InChIInChI=1S/C16H15N3O2/c20-12-9-13(21)17-16-14(12)15(10-5-4-6-10)18-19(16)11-7-2-1-3-8-11/h1-3,7-10H,4-6H2,(H2,17,20,21)
InChIKeyDILZMEIFLZCHKT-UHFFFAOYSA-N
XLogP2.69
TPSA70.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.31
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-cyclobutyl-4-hydroxy-1-phenyl-7H-pyrazolo[5,4-b]pyridin-6-one?
The IUPAC name of 3-cyclobutyl-4-hydroxy-1-phenyl-7H-pyrazolo[5,4-b]pyridin-6-one (CID 137048885) is 3-cyclobutyl-4-hydroxy-1-phenyl-7H-pyrazolo[5,4-b]pyridin-6-one.
What is the SMILES notation for 3-cyclobutyl-4-hydroxy-1-phenyl-7H-pyrazolo[5,4-b]pyridin-6-one?
The canonical SMILES for 3-cyclobutyl-4-hydroxy-1-phenyl-7H-pyrazolo[5,4-b]pyridin-6-one is O=c1cc(O)c2c(C3CCC3)nn(-c3ccccc3)c2[nH]1.
What is the InChIKey of 3-cyclobutyl-4-hydroxy-1-phenyl-7H-pyrazolo[5,4-b]pyridin-6-one?
The InChIKey is DILZMEIFLZCHKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O2/c20-12-9-13(21)17-16-14(12)15(10-5-4-6-10)18-19(16)11-7-2-1-3-8-11/h1-3,7-10H,4-6H2,(H2,17,20,21).
What are the key properties of 3-cyclobutyl-4-hydroxy-1-phenyl-7H-pyrazolo[5,4-b]pyridin-6-one?
3-cyclobutyl-4-hydroxy-1-phenyl-7H-pyrazolo[5,4-b]pyridin-6-one has a molecular weight of 281.31 g/mol, XLogP of 2.69, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclobutyl-4-hydroxy-1-phenyl-7H-pyrazolo[5,4-b]pyridin-6-one is sourced from PubChem (CID 137048885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).