7-(2-aminoethyl)-4-methyl-2-phenyl-1H-pyrazolo[3,4-b]pyridine-3,6-dione

C15H16N4O2 — CID 70536609

IUPAC7-(2-aminoethyl)-4-methyl-2-phenyl-1H-pyrazolo[3,4-b]pyridine-3,6-dione
SMILESCc1cc(=O)n(CCN)c2[nH]n(-c3ccccc3)c(=O)c12
InChIInChI=1S/C15H16N4O2/c1-10-9-12(20)18(8-7-16)14-13(10)15(21)19(17-14)11-5-3-2-4-6-11/h2-6,9,17H,7-8,16H2,1H3
InChIKeyXXJCLBUFJZCQHL-UHFFFAOYSA-N
MW284.32 g/mol
LogP0.75
Rot. Bonds3

About 7-(2-aminoethyl)-4-methyl-2-phenyl-1H-pyrazolo[3,4-b]pyridine-3,6-dione

7-(2-aminoethyl)-4-methyl-2-phenyl-1H-pyrazolo[3,4-b]pyridine-3,6-dione (PubChem CID 70536609) has the molecular formula C15H16N4O2 and a molecular weight of 284.32 g/mol. Its IUPAC name is 7-(2-aminoethyl)-4-methyl-2-phenyl-1H-pyrazolo[3,4-b]pyridine-3,6-dione.

Molecular Properties

Compound Name7-(2-aminoethyl)-4-methyl-2-phenyl-1H-pyrazolo[3,4-b]pyridine-3,6-dione
PubChem CID70536609
Molecular FormulaC15H16N4O2
Molecular Weight284.32 g/mol
Exact Mass284.13
IUPAC Name7-(2-aminoethyl)-4-methyl-2-phenyl-1H-pyrazolo[3,4-b]pyridine-3,6-dione
SMILESCc1cc(=O)n(CCN)c2[nH]n(-c3ccccc3)c(=O)c12
InChIInChI=1S/C15H16N4O2/c1-10-9-12(20)18(8-7-16)14-13(10)15(21)19(17-14)11-5-3-2-4-6-11/h2-6,9,17H,7-8,16H2,1H3
InChIKeyXXJCLBUFJZCQHL-UHFFFAOYSA-N
XLogP0.75
TPSA85.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.32
LogP ≤ 50.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 7-(2-aminoethyl)-4-methyl-2-phenyl-1H-pyrazolo[3,4-b]pyridine-3,6-dione 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 7-(2-aminoethyl)-4-methyl-2-phenyl-1H-pyrazolo[3,4-b]pyridine-3,6-dione?
The IUPAC name of 7-(2-aminoethyl)-4-methyl-2-phenyl-1H-pyrazolo[3,4-b]pyridine-3,6-dione (CID 70536609) is 7-(2-aminoethyl)-4-methyl-2-phenyl-1H-pyrazolo[3,4-b]pyridine-3,6-dione.
What is the SMILES notation for 7-(2-aminoethyl)-4-methyl-2-phenyl-1H-pyrazolo[3,4-b]pyridine-3,6-dione?
The canonical SMILES for 7-(2-aminoethyl)-4-methyl-2-phenyl-1H-pyrazolo[3,4-b]pyridine-3,6-dione is Cc1cc(=O)n(CCN)c2[nH]n(-c3ccccc3)c(=O)c12.
What is the InChIKey of 7-(2-aminoethyl)-4-methyl-2-phenyl-1H-pyrazolo[3,4-b]pyridine-3,6-dione?
The InChIKey is XXJCLBUFJZCQHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O2/c1-10-9-12(20)18(8-7-16)14-13(10)15(21)19(17-14)11-5-3-2-4-6-11/h2-6,9,17H,7-8,16H2,1H3.
What are the key properties of 7-(2-aminoethyl)-4-methyl-2-phenyl-1H-pyrazolo[3,4-b]pyridine-3,6-dione?
7-(2-aminoethyl)-4-methyl-2-phenyl-1H-pyrazolo[3,4-b]pyridine-3,6-dione has a molecular weight of 284.32 g/mol, XLogP of 0.75, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2-aminoethyl)-4-methyl-2-phenyl-1H-pyrazolo[3,4-b]pyridine-3,6-dione is sourced from PubChem (CID 70536609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).