6-methyl-2,4-diphenyl-1H-pyrazolo[3,4-b]pyridin-3-one

C19H15N3O — CID 879917

IUPAC6-methyl-2,4-diphenyl-1H-pyrazolo[3,4-b]pyridin-3-one
SMILESCc1cc(-c2ccccc2)c2c(=O)n(-c3ccccc3)[nH]c2n1
InChIInChI=1S/C19H15N3O/c1-13-12-16(14-8-4-2-5-9-14)17-18(20-13)21-22(19(17)23)15-10-6-3-7-11-15/h2-12H,1H3,(H,20,21)
InChIKeySAWWNUZFWJQRKX-UHFFFAOYSA-N
MW301.35 g/mol
LogP3.69
Rot. Bonds2

About 6-methyl-2,4-diphenyl-1H-pyrazolo[3,4-b]pyridin-3-one

6-methyl-2,4-diphenyl-1H-pyrazolo[3,4-b]pyridin-3-one (PubChem CID 879917) has the molecular formula C19H15N3O and a molecular weight of 301.35 g/mol. Its IUPAC name is 6-methyl-2,4-diphenyl-1H-pyrazolo[3,4-b]pyridin-3-one.

Molecular Properties

Compound Name6-methyl-2,4-diphenyl-1H-pyrazolo[3,4-b]pyridin-3-one
PubChem CID879917
Molecular FormulaC19H15N3O
Molecular Weight301.35 g/mol
Exact Mass301.12
IUPAC Name6-methyl-2,4-diphenyl-1H-pyrazolo[3,4-b]pyridin-3-one
SMILESCc1cc(-c2ccccc2)c2c(=O)n(-c3ccccc3)[nH]c2n1
InChIInChI=1S/C19H15N3O/c1-13-12-16(14-8-4-2-5-9-14)17-18(20-13)21-22(19(17)23)15-10-6-3-7-11-15/h2-12H,1H3,(H,20,21)
InChIKeySAWWNUZFWJQRKX-UHFFFAOYSA-N
XLogP3.69
TPSA50.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het_65_B(7)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-2,4-diphenyl-1H-pyrazolo[3,4-b]pyridin-3-one?
The IUPAC name of 6-methyl-2,4-diphenyl-1H-pyrazolo[3,4-b]pyridin-3-one (CID 879917) is 6-methyl-2,4-diphenyl-1H-pyrazolo[3,4-b]pyridin-3-one.
What is the SMILES notation for 6-methyl-2,4-diphenyl-1H-pyrazolo[3,4-b]pyridin-3-one?
The canonical SMILES for 6-methyl-2,4-diphenyl-1H-pyrazolo[3,4-b]pyridin-3-one is Cc1cc(-c2ccccc2)c2c(=O)n(-c3ccccc3)[nH]c2n1.
What is the InChIKey of 6-methyl-2,4-diphenyl-1H-pyrazolo[3,4-b]pyridin-3-one?
The InChIKey is SAWWNUZFWJQRKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N3O/c1-13-12-16(14-8-4-2-5-9-14)17-18(20-13)21-22(19(17)23)15-10-6-3-7-11-15/h2-12H,1H3,(H,20,21).
What are the key properties of 6-methyl-2,4-diphenyl-1H-pyrazolo[3,4-b]pyridin-3-one?
6-methyl-2,4-diphenyl-1H-pyrazolo[3,4-b]pyridin-3-one has a molecular weight of 301.35 g/mol, XLogP of 3.69, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2,4-diphenyl-1H-pyrazolo[3,4-b]pyridin-3-one is sourced from PubChem (CID 879917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).