3-(2-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridine

C13H11N3O — CID 141182116

IUPAC3-(2-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridine
SMILESCOc1ccccc1-c1[nH]nc2ncccc12
InChIInChI=1S/C13H11N3O/c1-17-11-7-3-2-5-9(11)12-10-6-4-8-14-13(10)16-15-12/h2-8H,1H3,(H,14,15,16)
InChIKeyKZFRNKDUJKPEAE-UHFFFAOYSA-N
MW225.25 g/mol
LogP2.63
Rot. Bonds2

About 3-(2-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridine

3-(2-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridine (PubChem CID 141182116) has the molecular formula C13H11N3O and a molecular weight of 225.25 g/mol. Its IUPAC name is 3-(2-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridine.

Molecular Properties

Compound Name3-(2-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridine
PubChem CID141182116
Molecular FormulaC13H11N3O
Molecular Weight225.25 g/mol
Exact Mass225.09
IUPAC Name3-(2-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridine
SMILESCOc1ccccc1-c1[nH]nc2ncccc12
InChIInChI=1S/C13H11N3O/c1-17-11-7-3-2-5-9(11)12-10-6-4-8-14-13(10)16-15-12/h2-8H,1H3,(H,14,15,16)
InChIKeyKZFRNKDUJKPEAE-UHFFFAOYSA-N
XLogP2.63
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.25
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridine?
The IUPAC name of 3-(2-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridine (CID 141182116) is 3-(2-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridine.
What is the SMILES notation for 3-(2-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridine?
The canonical SMILES for 3-(2-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridine is COc1ccccc1-c1[nH]nc2ncccc12.
What is the InChIKey of 3-(2-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridine?
The InChIKey is KZFRNKDUJKPEAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3O/c1-17-11-7-3-2-5-9(11)12-10-6-4-8-14-13(10)16-15-12/h2-8H,1H3,(H,14,15,16).
What are the key properties of 3-(2-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridine?
3-(2-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridine has a molecular weight of 225.25 g/mol, XLogP of 2.63, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridine is sourced from PubChem (CID 141182116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).