1,3-dihydropyrazolo[5,4-b]pyridin-3-ide;rhenium

C6H4N3Re- — CID 163444697

IUPAC1,3-dihydropyrazolo[5,4-b]pyridin-3-ide;rhenium
SMILES[Re].[c-]1n[nH]c2ncccc12
InChIInChI=1S/C6H4N3.Re/c1-2-5-4-8-9-6(5)7-3-1;/h1-3H,(H,7,8,9);/q-1;
InChIKeyGYNIGAKOLKXTMY-UHFFFAOYSA-N
MW304.33 g/mol
LogP0.76
Rot. Bonds

About 1,3-dihydropyrazolo[5,4-b]pyridin-3-ide;rhenium

1,3-dihydropyrazolo[5,4-b]pyridin-3-ide;rhenium (PubChem CID 163444697) has the molecular formula C6H4N3Re- and a molecular weight of 304.33 g/mol. Its IUPAC name is 1,3-dihydropyrazolo[5,4-b]pyridin-3-ide;rhenium.

Molecular Properties

Compound Name1,3-dihydropyrazolo[5,4-b]pyridin-3-ide;rhenium
PubChem CID163444697
Molecular FormulaC6H4N3Re-
Molecular Weight304.33 g/mol
Exact Mass305.00
IUPAC Name1,3-dihydropyrazolo[5,4-b]pyridin-3-ide;rhenium
SMILES[Re].[c-]1n[nH]c2ncccc12
InChIInChI=1S/C6H4N3.Re/c1-2-5-4-8-9-6(5)7-3-1;/h1-3H,(H,7,8,9);/q-1;
InChIKeyGYNIGAKOLKXTMY-UHFFFAOYSA-N
XLogP0.76
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.33
LogP ≤ 50.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1,3-dihydropyrazolo[5,4-b]pyridin-3-ide;rhenium 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 1,3-dihydropyrazolo[5,4-b]pyridin-3-ide;rhenium?
The IUPAC name of 1,3-dihydropyrazolo[5,4-b]pyridin-3-ide;rhenium (CID 163444697) is 1,3-dihydropyrazolo[5,4-b]pyridin-3-ide;rhenium.
What is the SMILES notation for 1,3-dihydropyrazolo[5,4-b]pyridin-3-ide;rhenium?
The canonical SMILES for 1,3-dihydropyrazolo[5,4-b]pyridin-3-ide;rhenium is [Re].[c-]1n[nH]c2ncccc12.
What is the InChIKey of 1,3-dihydropyrazolo[5,4-b]pyridin-3-ide;rhenium?
The InChIKey is GYNIGAKOLKXTMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4N3.Re/c1-2-5-4-8-9-6(5)7-3-1;/h1-3H,(H,7,8,9);/q-1;.
What are the key properties of 1,3-dihydropyrazolo[5,4-b]pyridin-3-ide;rhenium?
1,3-dihydropyrazolo[5,4-b]pyridin-3-ide;rhenium has a molecular weight of 304.33 g/mol, XLogP of 0.76, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dihydropyrazolo[5,4-b]pyridin-3-ide;rhenium is sourced from PubChem (CID 163444697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).