5-benzyl-4-methyl-2-phenyl-1H-pyrazolo[4,3-c]pyridine-3,6-dione

C20H17N3O2 — CID 1494832

IUPAC5-benzyl-4-methyl-2-phenyl-1H-pyrazolo[4,3-c]pyridine-3,6-dione
SMILESCc1c2c(=O)n(-c3ccccc3)[nH]c2cc(=O)n1Cc1ccccc1
InChIInChI=1S/C20H17N3O2/c1-14-19-17(21-23(20(19)25)16-10-6-3-7-11-16)12-18(24)22(14)13-15-8-4-2-5-9-15/h2-12,21H,13H2,1H3
InChIKeyYSUAHWBNDNZDME-UHFFFAOYSA-N
MW331.38 g/mol
LogP2.84
Rot. Bonds3

About 5-benzyl-4-methyl-2-phenyl-1H-pyrazolo[4,3-c]pyridine-3,6-dione

5-benzyl-4-methyl-2-phenyl-1H-pyrazolo[4,3-c]pyridine-3,6-dione (PubChem CID 1494832) has the molecular formula C20H17N3O2 and a molecular weight of 331.38 g/mol. Its IUPAC name is 5-benzyl-4-methyl-2-phenyl-1H-pyrazolo[4,3-c]pyridine-3,6-dione.

Molecular Properties

Compound Name5-benzyl-4-methyl-2-phenyl-1H-pyrazolo[4,3-c]pyridine-3,6-dione
PubChem CID1494832
Molecular FormulaC20H17N3O2
Molecular Weight331.38 g/mol
Exact Mass331.13
IUPAC Name5-benzyl-4-methyl-2-phenyl-1H-pyrazolo[4,3-c]pyridine-3,6-dione
SMILESCc1c2c(=O)n(-c3ccccc3)[nH]c2cc(=O)n1Cc1ccccc1
InChIInChI=1S/C20H17N3O2/c1-14-19-17(21-23(20(19)25)16-10-6-3-7-11-16)12-18(24)22(14)13-15-8-4-2-5-9-15/h2-12,21H,13H2,1H3
InChIKeyYSUAHWBNDNZDME-UHFFFAOYSA-N
XLogP2.84
TPSA59.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.38
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 5-benzyl-4-methyl-2-phenyl-1H-pyrazolo[4,3-c]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 5-benzyl-4-methyl-2-phenyl-1H-pyrazolo[4,3-c]pyridine-3,6-dione?
The IUPAC name of 5-benzyl-4-methyl-2-phenyl-1H-pyrazolo[4,3-c]pyridine-3,6-dione (CID 1494832) is 5-benzyl-4-methyl-2-phenyl-1H-pyrazolo[4,3-c]pyridine-3,6-dione.
What is the SMILES notation for 5-benzyl-4-methyl-2-phenyl-1H-pyrazolo[4,3-c]pyridine-3,6-dione?
The canonical SMILES for 5-benzyl-4-methyl-2-phenyl-1H-pyrazolo[4,3-c]pyridine-3,6-dione is Cc1c2c(=O)n(-c3ccccc3)[nH]c2cc(=O)n1Cc1ccccc1.
What is the InChIKey of 5-benzyl-4-methyl-2-phenyl-1H-pyrazolo[4,3-c]pyridine-3,6-dione?
The InChIKey is YSUAHWBNDNZDME-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N3O2/c1-14-19-17(21-23(20(19)25)16-10-6-3-7-11-16)12-18(24)22(14)13-15-8-4-2-5-9-15/h2-12,21H,13H2,1H3.
What are the key properties of 5-benzyl-4-methyl-2-phenyl-1H-pyrazolo[4,3-c]pyridine-3,6-dione?
5-benzyl-4-methyl-2-phenyl-1H-pyrazolo[4,3-c]pyridine-3,6-dione has a molecular weight of 331.38 g/mol, XLogP of 2.84, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-benzyl-4-methyl-2-phenyl-1H-pyrazolo[4,3-c]pyridine-3,6-dione is sourced from PubChem (CID 1494832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).