3-(2-methoxyphenyl)-5-thiophen-3-yl-2H-pyrazolo[3,4-b]pyridine

C17H13N3OS — CID 66556444

IUPAC3-(2-methoxyphenyl)-5-thiophen-3-yl-2H-pyrazolo[3,4-b]pyridine
SMILESCOc1ccccc1-c1[nH]nc2ncc(-c3ccsc3)cc12
InChIInChI=1S/C17H13N3OS/c1-21-15-5-3-2-4-13(15)16-14-8-12(11-6-7-22-10-11)9-18-17(14)20-19-16/h2-10H,1H3,(H,18,19,20)
InChIKeyNOWSRXSRKTVBBR-UHFFFAOYSA-N
MW307.38 g/mol
LogP4.36
Rot. Bonds3

About 3-(2-methoxyphenyl)-5-thiophen-3-yl-2H-pyrazolo[3,4-b]pyridine

3-(2-methoxyphenyl)-5-thiophen-3-yl-2H-pyrazolo[3,4-b]pyridine (PubChem CID 66556444) has the molecular formula C17H13N3OS and a molecular weight of 307.38 g/mol. Its IUPAC name is 3-(2-methoxyphenyl)-5-thiophen-3-yl-2H-pyrazolo[3,4-b]pyridine.

Molecular Properties

Compound Name3-(2-methoxyphenyl)-5-thiophen-3-yl-2H-pyrazolo[3,4-b]pyridine
PubChem CID66556444
Molecular FormulaC17H13N3OS
Molecular Weight307.38 g/mol
Exact Mass307.08
IUPAC Name3-(2-methoxyphenyl)-5-thiophen-3-yl-2H-pyrazolo[3,4-b]pyridine
SMILESCOc1ccccc1-c1[nH]nc2ncc(-c3ccsc3)cc12
InChIInChI=1S/C17H13N3OS/c1-21-15-5-3-2-4-13(15)16-14-8-12(11-6-7-22-10-11)9-18-17(14)20-19-16/h2-10H,1H3,(H,18,19,20)
InChIKeyNOWSRXSRKTVBBR-UHFFFAOYSA-N
XLogP4.36
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.38
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxyphenyl)-5-thiophen-3-yl-2H-pyrazolo[3,4-b]pyridine?
The IUPAC name of 3-(2-methoxyphenyl)-5-thiophen-3-yl-2H-pyrazolo[3,4-b]pyridine (CID 66556444) is 3-(2-methoxyphenyl)-5-thiophen-3-yl-2H-pyrazolo[3,4-b]pyridine.
What is the SMILES notation for 3-(2-methoxyphenyl)-5-thiophen-3-yl-2H-pyrazolo[3,4-b]pyridine?
The canonical SMILES for 3-(2-methoxyphenyl)-5-thiophen-3-yl-2H-pyrazolo[3,4-b]pyridine is COc1ccccc1-c1[nH]nc2ncc(-c3ccsc3)cc12.
What is the InChIKey of 3-(2-methoxyphenyl)-5-thiophen-3-yl-2H-pyrazolo[3,4-b]pyridine?
The InChIKey is NOWSRXSRKTVBBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13N3OS/c1-21-15-5-3-2-4-13(15)16-14-8-12(11-6-7-22-10-11)9-18-17(14)20-19-16/h2-10H,1H3,(H,18,19,20).
What are the key properties of 3-(2-methoxyphenyl)-5-thiophen-3-yl-2H-pyrazolo[3,4-b]pyridine?
3-(2-methoxyphenyl)-5-thiophen-3-yl-2H-pyrazolo[3,4-b]pyridine has a molecular weight of 307.38 g/mol, XLogP of 4.36, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxyphenyl)-5-thiophen-3-yl-2H-pyrazolo[3,4-b]pyridine is sourced from PubChem (CID 66556444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).