dimethyl 7-iodo-5-(1-methylsulfonylethyl)pyrazolo[1,5-a]pyridine-2,3-dicarboxylate

C14H15IN2O6S — CID 87274426

IUPACdimethyl 7-iodo-5-(1-methylsulfonylethyl)pyrazolo[1,5-a]pyridine-2,3-dicarboxylate
SMILESCOC(=O)c1nn2c(I)cc(C(C)S(C)(=O)=O)cc2c1C(=O)OC
InChIInChI=1S/C14H15IN2O6S/c1-7(24(4,20)21)8-5-9-11(13(18)22-2)12(14(19)23-3)16-17(9)10(15)6-8/h5-7H,1-4H3
InChIKeyHCZNLBUBCKQVFY-UHFFFAOYSA-N
MW466.25 g/mol
LogP1.62
Rot. Bonds4

About dimethyl 7-iodo-5-(1-methylsulfonylethyl)pyrazolo[1,5-a]pyridine-2,3-dicarboxylate

dimethyl 7-iodo-5-(1-methylsulfonylethyl)pyrazolo[1,5-a]pyridine-2,3-dicarboxylate (PubChem CID 87274426) has the molecular formula C14H15IN2O6S and a molecular weight of 466.25 g/mol. Its IUPAC name is dimethyl 7-iodo-5-(1-methylsulfonylethyl)pyrazolo[1,5-a]pyridine-2,3-dicarboxylate.

Molecular Properties

Compound Namedimethyl 7-iodo-5-(1-methylsulfonylethyl)pyrazolo[1,5-a]pyridine-2,3-dicarboxylate
PubChem CID87274426
Molecular FormulaC14H15IN2O6S
Molecular Weight466.25 g/mol
Exact Mass465.97
IUPAC Namedimethyl 7-iodo-5-(1-methylsulfonylethyl)pyrazolo[1,5-a]pyridine-2,3-dicarboxylate
SMILESCOC(=O)c1nn2c(I)cc(C(C)S(C)(=O)=O)cc2c1C(=O)OC
InChIInChI=1S/C14H15IN2O6S/c1-7(24(4,20)21)8-5-9-11(13(18)22-2)12(14(19)23-3)16-17(9)10(15)6-8/h5-7H,1-4H3
InChIKeyHCZNLBUBCKQVFY-UHFFFAOYSA-N
XLogP1.62
TPSA104.04 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.25
LogP ≤ 51.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

Analyze dimethyl 7-iodo-5-(1-methylsulfonylethyl)pyrazolo[1,5-a]pyridine-2,3-dicarboxylate 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 dimethyl 7-iodo-5-(1-methylsulfonylethyl)pyrazolo[1,5-a]pyridine-2,3-dicarboxylate?
The IUPAC name of dimethyl 7-iodo-5-(1-methylsulfonylethyl)pyrazolo[1,5-a]pyridine-2,3-dicarboxylate (CID 87274426) is dimethyl 7-iodo-5-(1-methylsulfonylethyl)pyrazolo[1,5-a]pyridine-2,3-dicarboxylate.
What is the SMILES notation for dimethyl 7-iodo-5-(1-methylsulfonylethyl)pyrazolo[1,5-a]pyridine-2,3-dicarboxylate?
The canonical SMILES for dimethyl 7-iodo-5-(1-methylsulfonylethyl)pyrazolo[1,5-a]pyridine-2,3-dicarboxylate is COC(=O)c1nn2c(I)cc(C(C)S(C)(=O)=O)cc2c1C(=O)OC.
What is the InChIKey of dimethyl 7-iodo-5-(1-methylsulfonylethyl)pyrazolo[1,5-a]pyridine-2,3-dicarboxylate?
The InChIKey is HCZNLBUBCKQVFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15IN2O6S/c1-7(24(4,20)21)8-5-9-11(13(18)22-2)12(14(19)23-3)16-17(9)10(15)6-8/h5-7H,1-4H3.
What are the key properties of dimethyl 7-iodo-5-(1-methylsulfonylethyl)pyrazolo[1,5-a]pyridine-2,3-dicarboxylate?
dimethyl 7-iodo-5-(1-methylsulfonylethyl)pyrazolo[1,5-a]pyridine-2,3-dicarboxylate has a molecular weight of 466.25 g/mol, XLogP of 1.62, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 7-iodo-5-(1-methylsulfonylethyl)pyrazolo[1,5-a]pyridine-2,3-dicarboxylate is sourced from PubChem (CID 87274426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).