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

C12H16N4O2 — CID 6922156

IUPAC3-amino-2-cyclohexyl-7H-pyrazolo[4,3-c]pyridine-4,6-dione
SMILESNc1c2c(nn1C1CCCCC1)CC(=O)NC2=O
InChIInChI=1S/C12H16N4O2/c13-11-10-8(6-9(17)14-12(10)18)15-16(11)7-4-2-1-3-5-7/h7H,1-6,13H2,(H,14,17,18)
InChIKeyVTSPKAJPOHCHBT-UHFFFAOYSA-N
MW248.29 g/mol
LogP0.78
Rot. Bonds1

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

3-amino-2-cyclohexyl-7H-pyrazolo[4,3-c]pyridine-4,6-dione (PubChem CID 6922156) has the molecular formula C12H16N4O2 and a molecular weight of 248.29 g/mol. Its IUPAC name is 3-amino-2-cyclohexyl-7H-pyrazolo[4,3-c]pyridine-4,6-dione.

Molecular Properties

Compound Name3-amino-2-cyclohexyl-7H-pyrazolo[4,3-c]pyridine-4,6-dione
PubChem CID6922156
Molecular FormulaC12H16N4O2
Molecular Weight248.29 g/mol
Exact Mass248.13
IUPAC Name3-amino-2-cyclohexyl-7H-pyrazolo[4,3-c]pyridine-4,6-dione
SMILESNc1c2c(nn1C1CCCCC1)CC(=O)NC2=O
InChIInChI=1S/C12H16N4O2/c13-11-10-8(6-9(17)14-12(10)18)15-16(11)7-4-2-1-3-5-7/h7H,1-6,13H2,(H,14,17,18)
InChIKeyVTSPKAJPOHCHBT-UHFFFAOYSA-N
XLogP0.78
TPSA90.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.29
LogP ≤ 50.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 3-amino-2-cyclohexyl-7H-pyrazolo[4,3-c]pyridine-4,6-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 3-amino-2-cyclohexyl-7H-pyrazolo[4,3-c]pyridine-4,6-dione?
The IUPAC name of 3-amino-2-cyclohexyl-7H-pyrazolo[4,3-c]pyridine-4,6-dione (CID 6922156) is 3-amino-2-cyclohexyl-7H-pyrazolo[4,3-c]pyridine-4,6-dione.
What is the SMILES notation for 3-amino-2-cyclohexyl-7H-pyrazolo[4,3-c]pyridine-4,6-dione?
The canonical SMILES for 3-amino-2-cyclohexyl-7H-pyrazolo[4,3-c]pyridine-4,6-dione is Nc1c2c(nn1C1CCCCC1)CC(=O)NC2=O.
What is the InChIKey of 3-amino-2-cyclohexyl-7H-pyrazolo[4,3-c]pyridine-4,6-dione?
The InChIKey is VTSPKAJPOHCHBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O2/c13-11-10-8(6-9(17)14-12(10)18)15-16(11)7-4-2-1-3-5-7/h7H,1-6,13H2,(H,14,17,18).
What are the key properties of 3-amino-2-cyclohexyl-7H-pyrazolo[4,3-c]pyridine-4,6-dione?
3-amino-2-cyclohexyl-7H-pyrazolo[4,3-c]pyridine-4,6-dione has a molecular weight of 248.29 g/mol, XLogP of 0.78, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-cyclohexyl-7H-pyrazolo[4,3-c]pyridine-4,6-dione is sourced from PubChem (CID 6922156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).