3-amino-2-phenyl-7H-pyrazolo[4,3-c]pyridine-4,6-dione

C12H10N4O2 — CID 555805

IUPAC3-amino-2-phenyl-7H-pyrazolo[4,3-c]pyridine-4,6-dione
SMILESNc1c2c(nn1-c1ccccc1)CC(=O)NC2=O
InChIInChI=1S/C12H10N4O2/c13-11-10-8(6-9(17)14-12(10)18)15-16(11)7-4-2-1-3-5-7/h1-5H,6,13H2,(H,14,17,18)
InChIKeyVANFLNQFMGDRQY-UHFFFAOYSA-N
MW242.24 g/mol
LogP0.27
Rot. Bonds1

About 3-amino-2-phenyl-7H-pyrazolo[4,3-c]pyridine-4,6-dione

3-amino-2-phenyl-7H-pyrazolo[4,3-c]pyridine-4,6-dione (PubChem CID 555805) has the molecular formula C12H10N4O2 and a molecular weight of 242.24 g/mol. Its IUPAC name is 3-amino-2-phenyl-7H-pyrazolo[4,3-c]pyridine-4,6-dione.

Molecular Properties

Compound Name3-amino-2-phenyl-7H-pyrazolo[4,3-c]pyridine-4,6-dione
PubChem CID555805
Molecular FormulaC12H10N4O2
Molecular Weight242.24 g/mol
Exact Mass242.08
IUPAC Name3-amino-2-phenyl-7H-pyrazolo[4,3-c]pyridine-4,6-dione
SMILESNc1c2c(nn1-c1ccccc1)CC(=O)NC2=O
InChIInChI=1S/C12H10N4O2/c13-11-10-8(6-9(17)14-12(10)18)15-16(11)7-4-2-1-3-5-7/h1-5H,6,13H2,(H,14,17,18)
InChIKeyVANFLNQFMGDRQY-UHFFFAOYSA-N
XLogP0.27
TPSA90.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.24
LogP ≤ 50.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-amino-2-phenyl-7H-pyrazolo[4,3-c]pyridine-4,6-dione?
The IUPAC name of 3-amino-2-phenyl-7H-pyrazolo[4,3-c]pyridine-4,6-dione (CID 555805) is 3-amino-2-phenyl-7H-pyrazolo[4,3-c]pyridine-4,6-dione.
What is the SMILES notation for 3-amino-2-phenyl-7H-pyrazolo[4,3-c]pyridine-4,6-dione?
The canonical SMILES for 3-amino-2-phenyl-7H-pyrazolo[4,3-c]pyridine-4,6-dione is Nc1c2c(nn1-c1ccccc1)CC(=O)NC2=O.
What is the InChIKey of 3-amino-2-phenyl-7H-pyrazolo[4,3-c]pyridine-4,6-dione?
The InChIKey is VANFLNQFMGDRQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N4O2/c13-11-10-8(6-9(17)14-12(10)18)15-16(11)7-4-2-1-3-5-7/h1-5H,6,13H2,(H,14,17,18).
What are the key properties of 3-amino-2-phenyl-7H-pyrazolo[4,3-c]pyridine-4,6-dione?
3-amino-2-phenyl-7H-pyrazolo[4,3-c]pyridine-4,6-dione has a molecular weight of 242.24 g/mol, XLogP of 0.27, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-phenyl-7H-pyrazolo[4,3-c]pyridine-4,6-dione is sourced from PubChem (CID 555805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).