1-benzyl-5-(5-bromo-2H-pyrazolo[3,4-b]pyridin-3-yl)pyridin-2-one

C18H13BrN4O — CID 162647353

IUPAC1-benzyl-5-(5-bromo-2H-pyrazolo[3,4-b]pyridin-3-yl)pyridin-2-one
SMILESO=c1ccc(-c2[nH]nc3ncc(Br)cc23)cn1Cc1ccccc1
InChIInChI=1S/C18H13BrN4O/c19-14-8-15-17(21-22-18(15)20-9-14)13-6-7-16(24)23(11-13)10-12-4-2-1-3-5-12/h1-9,11H,10H2,(H,20,21,22)
InChIKeyIXQFWQXAZJXVSH-UHFFFAOYSA-N
MW381.23 g/mol
LogP3.60
Rot. Bonds3

About 1-benzyl-5-(5-bromo-2H-pyrazolo[3,4-b]pyridin-3-yl)pyridin-2-one

1-benzyl-5-(5-bromo-2H-pyrazolo[3,4-b]pyridin-3-yl)pyridin-2-one (PubChem CID 162647353) has the molecular formula C18H13BrN4O and a molecular weight of 381.23 g/mol. Its IUPAC name is 1-benzyl-5-(5-bromo-2H-pyrazolo[3,4-b]pyridin-3-yl)pyridin-2-one.

Molecular Properties

Compound Name1-benzyl-5-(5-bromo-2H-pyrazolo[3,4-b]pyridin-3-yl)pyridin-2-one
PubChem CID162647353
Molecular FormulaC18H13BrN4O
Molecular Weight381.23 g/mol
Exact Mass380.03
IUPAC Name1-benzyl-5-(5-bromo-2H-pyrazolo[3,4-b]pyridin-3-yl)pyridin-2-one
SMILESO=c1ccc(-c2[nH]nc3ncc(Br)cc23)cn1Cc1ccccc1
InChIInChI=1S/C18H13BrN4O/c19-14-8-15-17(21-22-18(15)20-9-14)13-6-7-16(24)23(11-13)10-12-4-2-1-3-5-12/h1-9,11H,10H2,(H,20,21,22)
InChIKeyIXQFWQXAZJXVSH-UHFFFAOYSA-N
XLogP3.60
TPSA63.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.23
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-benzyl-5-(5-bromo-2H-pyrazolo[3,4-b]pyridin-3-yl)pyridin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-5-(5-bromo-2H-pyrazolo[3,4-b]pyridin-3-yl)pyridin-2-one?
The IUPAC name of 1-benzyl-5-(5-bromo-2H-pyrazolo[3,4-b]pyridin-3-yl)pyridin-2-one (CID 162647353) is 1-benzyl-5-(5-bromo-2H-pyrazolo[3,4-b]pyridin-3-yl)pyridin-2-one.
What is the SMILES notation for 1-benzyl-5-(5-bromo-2H-pyrazolo[3,4-b]pyridin-3-yl)pyridin-2-one?
The canonical SMILES for 1-benzyl-5-(5-bromo-2H-pyrazolo[3,4-b]pyridin-3-yl)pyridin-2-one is O=c1ccc(-c2[nH]nc3ncc(Br)cc23)cn1Cc1ccccc1.
What is the InChIKey of 1-benzyl-5-(5-bromo-2H-pyrazolo[3,4-b]pyridin-3-yl)pyridin-2-one?
The InChIKey is IXQFWQXAZJXVSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13BrN4O/c19-14-8-15-17(21-22-18(15)20-9-14)13-6-7-16(24)23(11-13)10-12-4-2-1-3-5-12/h1-9,11H,10H2,(H,20,21,22).
What are the key properties of 1-benzyl-5-(5-bromo-2H-pyrazolo[3,4-b]pyridin-3-yl)pyridin-2-one?
1-benzyl-5-(5-bromo-2H-pyrazolo[3,4-b]pyridin-3-yl)pyridin-2-one has a molecular weight of 381.23 g/mol, XLogP of 3.60, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-5-(5-bromo-2H-pyrazolo[3,4-b]pyridin-3-yl)pyridin-2-one is sourced from PubChem (CID 162647353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).