6-(furan-2-yl)-5-pyrimidin-4-yl-1H-pyrazolo[3,4-b]pyridine

C14H9N5O — CID 11952560

IUPAC6-(furan-2-yl)-5-pyrimidin-4-yl-1H-pyrazolo[3,4-b]pyridine
SMILESc1coc(-c2nc3[nH]ncc3cc2-c2ccncn2)c1
InChIInChI=1S/C14H9N5O/c1-2-12(20-5-1)13-10(11-3-4-15-8-16-11)6-9-7-17-19-14(9)18-13/h1-8H,(H,17,18,19)
InChIKeyFUZVDFCUPYVIEA-UHFFFAOYSA-N
MW263.26 g/mol
LogP2.67
Rot. Bonds2

About 6-(furan-2-yl)-5-pyrimidin-4-yl-1H-pyrazolo[3,4-b]pyridine

6-(furan-2-yl)-5-pyrimidin-4-yl-1H-pyrazolo[3,4-b]pyridine (PubChem CID 11952560) has the molecular formula C14H9N5O and a molecular weight of 263.26 g/mol. Its IUPAC name is 6-(furan-2-yl)-5-pyrimidin-4-yl-1H-pyrazolo[3,4-b]pyridine.

Molecular Properties

Compound Name6-(furan-2-yl)-5-pyrimidin-4-yl-1H-pyrazolo[3,4-b]pyridine
PubChem CID11952560
Molecular FormulaC14H9N5O
Molecular Weight263.26 g/mol
Exact Mass263.08
IUPAC Name6-(furan-2-yl)-5-pyrimidin-4-yl-1H-pyrazolo[3,4-b]pyridine
SMILESc1coc(-c2nc3[nH]ncc3cc2-c2ccncn2)c1
InChIInChI=1S/C14H9N5O/c1-2-12(20-5-1)13-10(11-3-4-15-8-16-11)6-9-7-17-19-14(9)18-13/h1-8H,(H,17,18,19)
InChIKeyFUZVDFCUPYVIEA-UHFFFAOYSA-N
XLogP2.67
TPSA80.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.26
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(furan-2-yl)-5-pyrimidin-4-yl-1H-pyrazolo[3,4-b]pyridine?
The IUPAC name of 6-(furan-2-yl)-5-pyrimidin-4-yl-1H-pyrazolo[3,4-b]pyridine (CID 11952560) is 6-(furan-2-yl)-5-pyrimidin-4-yl-1H-pyrazolo[3,4-b]pyridine.
What is the SMILES notation for 6-(furan-2-yl)-5-pyrimidin-4-yl-1H-pyrazolo[3,4-b]pyridine?
The canonical SMILES for 6-(furan-2-yl)-5-pyrimidin-4-yl-1H-pyrazolo[3,4-b]pyridine is c1coc(-c2nc3[nH]ncc3cc2-c2ccncn2)c1.
What is the InChIKey of 6-(furan-2-yl)-5-pyrimidin-4-yl-1H-pyrazolo[3,4-b]pyridine?
The InChIKey is FUZVDFCUPYVIEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9N5O/c1-2-12(20-5-1)13-10(11-3-4-15-8-16-11)6-9-7-17-19-14(9)18-13/h1-8H,(H,17,18,19).
What are the key properties of 6-(furan-2-yl)-5-pyrimidin-4-yl-1H-pyrazolo[3,4-b]pyridine?
6-(furan-2-yl)-5-pyrimidin-4-yl-1H-pyrazolo[3,4-b]pyridine has a molecular weight of 263.26 g/mol, XLogP of 2.67, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(furan-2-yl)-5-pyrimidin-4-yl-1H-pyrazolo[3,4-b]pyridine is sourced from PubChem (CID 11952560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).