6-pyridin-4-yl-1,2-dihydropyrazolo[3,4-b]pyridin-3-one

C11H8N4O — CID 4116193

IUPAC6-pyridin-4-yl-1,2-dihydropyrazolo[3,4-b]pyridin-3-one
SMILESO=c1[nH][nH]c2nc(-c3ccncc3)ccc12
InChIInChI=1S/C11H8N4O/c16-11-8-1-2-9(13-10(8)14-15-11)7-3-5-12-6-4-7/h1-6H,(H2,13,14,15,16)
InChIKeyAPHGDDRQPIRLTR-UHFFFAOYSA-N
MW212.21 g/mol
LogP1.31
Rot. Bonds1

About 6-pyridin-4-yl-1,2-dihydropyrazolo[3,4-b]pyridin-3-one

6-pyridin-4-yl-1,2-dihydropyrazolo[3,4-b]pyridin-3-one (PubChem CID 4116193) has the molecular formula C11H8N4O and a molecular weight of 212.21 g/mol. Its IUPAC name is 6-pyridin-4-yl-1,2-dihydropyrazolo[3,4-b]pyridin-3-one.

Molecular Properties

Compound Name6-pyridin-4-yl-1,2-dihydropyrazolo[3,4-b]pyridin-3-one
PubChem CID4116193
Molecular FormulaC11H8N4O
Molecular Weight212.21 g/mol
Exact Mass212.07
IUPAC Name6-pyridin-4-yl-1,2-dihydropyrazolo[3,4-b]pyridin-3-one
SMILESO=c1[nH][nH]c2nc(-c3ccncc3)ccc12
InChIInChI=1S/C11H8N4O/c16-11-8-1-2-9(13-10(8)14-15-11)7-3-5-12-6-4-7/h1-6H,(H2,13,14,15,16)
InChIKeyAPHGDDRQPIRLTR-UHFFFAOYSA-N
XLogP1.31
TPSA74.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.21
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-pyridin-4-yl-1,2-dihydropyrazolo[3,4-b]pyridin-3-one?
The IUPAC name of 6-pyridin-4-yl-1,2-dihydropyrazolo[3,4-b]pyridin-3-one (CID 4116193) is 6-pyridin-4-yl-1,2-dihydropyrazolo[3,4-b]pyridin-3-one.
What is the SMILES notation for 6-pyridin-4-yl-1,2-dihydropyrazolo[3,4-b]pyridin-3-one?
The canonical SMILES for 6-pyridin-4-yl-1,2-dihydropyrazolo[3,4-b]pyridin-3-one is O=c1[nH][nH]c2nc(-c3ccncc3)ccc12.
What is the InChIKey of 6-pyridin-4-yl-1,2-dihydropyrazolo[3,4-b]pyridin-3-one?
The InChIKey is APHGDDRQPIRLTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8N4O/c16-11-8-1-2-9(13-10(8)14-15-11)7-3-5-12-6-4-7/h1-6H,(H2,13,14,15,16).
What are the key properties of 6-pyridin-4-yl-1,2-dihydropyrazolo[3,4-b]pyridin-3-one?
6-pyridin-4-yl-1,2-dihydropyrazolo[3,4-b]pyridin-3-one has a molecular weight of 212.21 g/mol, XLogP of 1.31, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-pyridin-4-yl-1,2-dihydropyrazolo[3,4-b]pyridin-3-one is sourced from PubChem (CID 4116193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).