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

C13H11N3O — CID 824807

IUPAC6-methyl-4-phenyl-1,2-dihydropyrazolo[3,4-b]pyridin-3-one
SMILESCc1cc(-c2ccccc2)c2c(=O)[nH][nH]c2n1
InChIInChI=1S/C13H11N3O/c1-8-7-10(9-5-3-2-4-6-9)11-12(14-8)15-16-13(11)17/h2-7H,1H3,(H2,14,15,16,17)
InChIKeyUXATUFBQXDNQDH-UHFFFAOYSA-N
MW225.25 g/mol
LogP2.23
Rot. Bonds1

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

6-methyl-4-phenyl-1,2-dihydropyrazolo[3,4-b]pyridin-3-one (PubChem CID 824807) has the molecular formula C13H11N3O and a molecular weight of 225.25 g/mol. Its IUPAC name is 6-methyl-4-phenyl-1,2-dihydropyrazolo[3,4-b]pyridin-3-one.

Molecular Properties

Compound Name6-methyl-4-phenyl-1,2-dihydropyrazolo[3,4-b]pyridin-3-one
PubChem CID824807
Molecular FormulaC13H11N3O
Molecular Weight225.25 g/mol
Exact Mass225.09
IUPAC Name6-methyl-4-phenyl-1,2-dihydropyrazolo[3,4-b]pyridin-3-one
SMILESCc1cc(-c2ccccc2)c2c(=O)[nH][nH]c2n1
InChIInChI=1S/C13H11N3O/c1-8-7-10(9-5-3-2-4-6-9)11-12(14-8)15-16-13(11)17/h2-7H,1H3,(H2,14,15,16,17)
InChIKeyUXATUFBQXDNQDH-UHFFFAOYSA-N
XLogP2.23
TPSA61.54 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.25
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-4-phenyl-1,2-dihydropyrazolo[3,4-b]pyridin-3-one?
The IUPAC name of 6-methyl-4-phenyl-1,2-dihydropyrazolo[3,4-b]pyridin-3-one (CID 824807) is 6-methyl-4-phenyl-1,2-dihydropyrazolo[3,4-b]pyridin-3-one.
What is the SMILES notation for 6-methyl-4-phenyl-1,2-dihydropyrazolo[3,4-b]pyridin-3-one?
The canonical SMILES for 6-methyl-4-phenyl-1,2-dihydropyrazolo[3,4-b]pyridin-3-one is Cc1cc(-c2ccccc2)c2c(=O)[nH][nH]c2n1.
What is the InChIKey of 6-methyl-4-phenyl-1,2-dihydropyrazolo[3,4-b]pyridin-3-one?
The InChIKey is UXATUFBQXDNQDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3O/c1-8-7-10(9-5-3-2-4-6-9)11-12(14-8)15-16-13(11)17/h2-7H,1H3,(H2,14,15,16,17).
What are the key properties of 6-methyl-4-phenyl-1,2-dihydropyrazolo[3,4-b]pyridin-3-one?
6-methyl-4-phenyl-1,2-dihydropyrazolo[3,4-b]pyridin-3-one has a molecular weight of 225.25 g/mol, XLogP of 2.23, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-4-phenyl-1,2-dihydropyrazolo[3,4-b]pyridin-3-one is sourced from PubChem (CID 824807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).