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

C17H13N3O2 — CID 66556608

IUPAC5-(furan-3-yl)-3-(2-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridine
SMILESCOc1ccccc1-c1[nH]nc2ncc(-c3ccoc3)cc12
InChIInChI=1S/C17H13N3O2/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)
InChIKeyCBILZOSVPWRWBS-UHFFFAOYSA-N
MW291.31 g/mol
LogP3.89
Rot. Bonds3

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

5-(furan-3-yl)-3-(2-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridine (PubChem CID 66556608) has the molecular formula C17H13N3O2 and a molecular weight of 291.31 g/mol. Its IUPAC name is 5-(furan-3-yl)-3-(2-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridine.

Molecular Properties

Compound Name5-(furan-3-yl)-3-(2-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridine
PubChem CID66556608
Molecular FormulaC17H13N3O2
Molecular Weight291.31 g/mol
Exact Mass291.10
IUPAC Name5-(furan-3-yl)-3-(2-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridine
SMILESCOc1ccccc1-c1[nH]nc2ncc(-c3ccoc3)cc12
InChIInChI=1S/C17H13N3O2/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)
InChIKeyCBILZOSVPWRWBS-UHFFFAOYSA-N
XLogP3.89
TPSA63.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.31
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(furan-3-yl)-3-(2-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridine?
The IUPAC name of 5-(furan-3-yl)-3-(2-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridine (CID 66556608) is 5-(furan-3-yl)-3-(2-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridine.
What is the SMILES notation for 5-(furan-3-yl)-3-(2-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridine?
The canonical SMILES for 5-(furan-3-yl)-3-(2-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridine is COc1ccccc1-c1[nH]nc2ncc(-c3ccoc3)cc12.
What is the InChIKey of 5-(furan-3-yl)-3-(2-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridine?
The InChIKey is CBILZOSVPWRWBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13N3O2/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 5-(furan-3-yl)-3-(2-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridine?
5-(furan-3-yl)-3-(2-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridine has a molecular weight of 291.31 g/mol, XLogP of 3.89, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(furan-3-yl)-3-(2-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridine is sourced from PubChem (CID 66556608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).