6-(furan-2-yl)-5-pyrimidin-4-yl-1,2-dihydropyrazolo[3,4-b]pyridin-3-one

C14H9N5O2 — CID 11952564

IUPAC6-(furan-2-yl)-5-pyrimidin-4-yl-1,2-dihydropyrazolo[3,4-b]pyridin-3-one
SMILESO=c1[nH][nH]c2nc(-c3ccco3)c(-c3ccncn3)cc12
InChIInChI=1S/C14H9N5O2/c20-14-9-6-8(10-3-4-15-7-16-10)12(11-2-1-5-21-11)17-13(9)18-19-14/h1-7H,(H2,17,18,19,20)
InChIKeyODIWALRZUVNYHC-UHFFFAOYSA-N
MW279.26 g/mol
LogP1.97
Rot. Bonds2

About 6-(furan-2-yl)-5-pyrimidin-4-yl-1,2-dihydropyrazolo[3,4-b]pyridin-3-one

6-(furan-2-yl)-5-pyrimidin-4-yl-1,2-dihydropyrazolo[3,4-b]pyridin-3-one (PubChem CID 11952564) has the molecular formula C14H9N5O2 and a molecular weight of 279.26 g/mol. Its IUPAC name is 6-(furan-2-yl)-5-pyrimidin-4-yl-1,2-dihydropyrazolo[3,4-b]pyridin-3-one.

Molecular Properties

Compound Name6-(furan-2-yl)-5-pyrimidin-4-yl-1,2-dihydropyrazolo[3,4-b]pyridin-3-one
PubChem CID11952564
Molecular FormulaC14H9N5O2
Molecular Weight279.26 g/mol
Exact Mass279.08
IUPAC Name6-(furan-2-yl)-5-pyrimidin-4-yl-1,2-dihydropyrazolo[3,4-b]pyridin-3-one
SMILESO=c1[nH][nH]c2nc(-c3ccco3)c(-c3ccncn3)cc12
InChIInChI=1S/C14H9N5O2/c20-14-9-6-8(10-3-4-15-7-16-10)12(11-2-1-5-21-11)17-13(9)18-19-14/h1-7H,(H2,17,18,19,20)
InChIKeyODIWALRZUVNYHC-UHFFFAOYSA-N
XLogP1.97
TPSA100.46 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.26
LogP ≤ 51.97
H-Bond Donors ≤ 52
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-1,2-dihydropyrazolo[3,4-b]pyridin-3-one?
The IUPAC name of 6-(furan-2-yl)-5-pyrimidin-4-yl-1,2-dihydropyrazolo[3,4-b]pyridin-3-one (CID 11952564) is 6-(furan-2-yl)-5-pyrimidin-4-yl-1,2-dihydropyrazolo[3,4-b]pyridin-3-one.
What is the SMILES notation for 6-(furan-2-yl)-5-pyrimidin-4-yl-1,2-dihydropyrazolo[3,4-b]pyridin-3-one?
The canonical SMILES for 6-(furan-2-yl)-5-pyrimidin-4-yl-1,2-dihydropyrazolo[3,4-b]pyridin-3-one is O=c1[nH][nH]c2nc(-c3ccco3)c(-c3ccncn3)cc12.
What is the InChIKey of 6-(furan-2-yl)-5-pyrimidin-4-yl-1,2-dihydropyrazolo[3,4-b]pyridin-3-one?
The InChIKey is ODIWALRZUVNYHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9N5O2/c20-14-9-6-8(10-3-4-15-7-16-10)12(11-2-1-5-21-11)17-13(9)18-19-14/h1-7H,(H2,17,18,19,20).
What are the key properties of 6-(furan-2-yl)-5-pyrimidin-4-yl-1,2-dihydropyrazolo[3,4-b]pyridin-3-one?
6-(furan-2-yl)-5-pyrimidin-4-yl-1,2-dihydropyrazolo[3,4-b]pyridin-3-one has a molecular weight of 279.26 g/mol, XLogP of 1.97, 2 rotatable bonds, 2 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-1,2-dihydropyrazolo[3,4-b]pyridin-3-one is sourced from PubChem (CID 11952564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).