4-(4-methylphenyl)-2-phenyl-1H-pyrazolo[3,4-b]pyridin-3-one

C19H15N3O — CID 6461855

IUPAC4-(4-methylphenyl)-2-phenyl-1H-pyrazolo[3,4-b]pyridin-3-one
SMILESCc1ccc(-c2ccnc3[nH]n(-c4ccccc4)c(=O)c23)cc1
InChIInChI=1S/C19H15N3O/c1-13-7-9-14(10-8-13)16-11-12-20-18-17(16)19(23)22(21-18)15-5-3-2-4-6-15/h2-12H,1H3,(H,20,21)
InChIKeyCBEGJUHMZFOKEN-UHFFFAOYSA-N
MW301.35 g/mol
LogP3.69
Rot. Bonds2

About 4-(4-methylphenyl)-2-phenyl-1H-pyrazolo[3,4-b]pyridin-3-one

4-(4-methylphenyl)-2-phenyl-1H-pyrazolo[3,4-b]pyridin-3-one (PubChem CID 6461855) has the molecular formula C19H15N3O and a molecular weight of 301.35 g/mol. Its IUPAC name is 4-(4-methylphenyl)-2-phenyl-1H-pyrazolo[3,4-b]pyridin-3-one.

Molecular Properties

Compound Name4-(4-methylphenyl)-2-phenyl-1H-pyrazolo[3,4-b]pyridin-3-one
PubChem CID6461855
Molecular FormulaC19H15N3O
Molecular Weight301.35 g/mol
Exact Mass301.12
IUPAC Name4-(4-methylphenyl)-2-phenyl-1H-pyrazolo[3,4-b]pyridin-3-one
SMILESCc1ccc(-c2ccnc3[nH]n(-c4ccccc4)c(=O)c23)cc1
InChIInChI=1S/C19H15N3O/c1-13-7-9-14(10-8-13)16-11-12-20-18-17(16)19(23)22(21-18)15-5-3-2-4-6-15/h2-12H,1H3,(H,20,21)
InChIKeyCBEGJUHMZFOKEN-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 4-(4-methylphenyl)-2-phenyl-1H-pyrazolo[3,4-b]pyridin-3-one?
The IUPAC name of 4-(4-methylphenyl)-2-phenyl-1H-pyrazolo[3,4-b]pyridin-3-one (CID 6461855) is 4-(4-methylphenyl)-2-phenyl-1H-pyrazolo[3,4-b]pyridin-3-one.
What is the SMILES notation for 4-(4-methylphenyl)-2-phenyl-1H-pyrazolo[3,4-b]pyridin-3-one?
The canonical SMILES for 4-(4-methylphenyl)-2-phenyl-1H-pyrazolo[3,4-b]pyridin-3-one is Cc1ccc(-c2ccnc3[nH]n(-c4ccccc4)c(=O)c23)cc1.
What is the InChIKey of 4-(4-methylphenyl)-2-phenyl-1H-pyrazolo[3,4-b]pyridin-3-one?
The InChIKey is CBEGJUHMZFOKEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N3O/c1-13-7-9-14(10-8-13)16-11-12-20-18-17(16)19(23)22(21-18)15-5-3-2-4-6-15/h2-12H,1H3,(H,20,21).
What are the key properties of 4-(4-methylphenyl)-2-phenyl-1H-pyrazolo[3,4-b]pyridin-3-one?
4-(4-methylphenyl)-2-phenyl-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 4-(4-methylphenyl)-2-phenyl-1H-pyrazolo[3,4-b]pyridin-3-one is sourced from PubChem (CID 6461855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).