3-(2-methylsulfonylpyrimidin-4-yl)-2-phenylpyrazolo[1,5-a]pyridine

C18H14N4O2S — CID 58784245

IUPAC3-(2-methylsulfonylpyrimidin-4-yl)-2-phenylpyrazolo[1,5-a]pyridine
SMILESCS(=O)(=O)c1nccc(-c2c(-c3ccccc3)nn3ccccc23)n1
InChIInChI=1S/C18H14N4O2S/c1-25(23,24)18-19-11-10-14(20-18)16-15-9-5-6-12-22(15)21-17(16)13-7-3-2-4-8-13/h2-12H,1H3
InChIKeyBCCCVMLRSWAEJY-UHFFFAOYSA-N
MW350.40 g/mol
LogP2.86
Rot. Bonds3

About 3-(2-methylsulfonylpyrimidin-4-yl)-2-phenylpyrazolo[1,5-a]pyridine

3-(2-methylsulfonylpyrimidin-4-yl)-2-phenylpyrazolo[1,5-a]pyridine (PubChem CID 58784245) has the molecular formula C18H14N4O2S and a molecular weight of 350.40 g/mol. Its IUPAC name is 3-(2-methylsulfonylpyrimidin-4-yl)-2-phenylpyrazolo[1,5-a]pyridine.

Molecular Properties

Compound Name3-(2-methylsulfonylpyrimidin-4-yl)-2-phenylpyrazolo[1,5-a]pyridine
PubChem CID58784245
Molecular FormulaC18H14N4O2S
Molecular Weight350.40 g/mol
Exact Mass350.08
IUPAC Name3-(2-methylsulfonylpyrimidin-4-yl)-2-phenylpyrazolo[1,5-a]pyridine
SMILESCS(=O)(=O)c1nccc(-c2c(-c3ccccc3)nn3ccccc23)n1
InChIInChI=1S/C18H14N4O2S/c1-25(23,24)18-19-11-10-14(20-18)16-15-9-5-6-12-22(15)21-17(16)13-7-3-2-4-8-13/h2-12H,1H3
InChIKeyBCCCVMLRSWAEJY-UHFFFAOYSA-N
XLogP2.86
TPSA77.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.40
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 3-(2-methylsulfonylpyrimidin-4-yl)-2-phenylpyrazolo[1,5-a]pyridine 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-(2-methylsulfonylpyrimidin-4-yl)-2-phenylpyrazolo[1,5-a]pyridine?
The IUPAC name of 3-(2-methylsulfonylpyrimidin-4-yl)-2-phenylpyrazolo[1,5-a]pyridine (CID 58784245) is 3-(2-methylsulfonylpyrimidin-4-yl)-2-phenylpyrazolo[1,5-a]pyridine.
What is the SMILES notation for 3-(2-methylsulfonylpyrimidin-4-yl)-2-phenylpyrazolo[1,5-a]pyridine?
The canonical SMILES for 3-(2-methylsulfonylpyrimidin-4-yl)-2-phenylpyrazolo[1,5-a]pyridine is CS(=O)(=O)c1nccc(-c2c(-c3ccccc3)nn3ccccc23)n1.
What is the InChIKey of 3-(2-methylsulfonylpyrimidin-4-yl)-2-phenylpyrazolo[1,5-a]pyridine?
The InChIKey is BCCCVMLRSWAEJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N4O2S/c1-25(23,24)18-19-11-10-14(20-18)16-15-9-5-6-12-22(15)21-17(16)13-7-3-2-4-8-13/h2-12H,1H3.
What are the key properties of 3-(2-methylsulfonylpyrimidin-4-yl)-2-phenylpyrazolo[1,5-a]pyridine?
3-(2-methylsulfonylpyrimidin-4-yl)-2-phenylpyrazolo[1,5-a]pyridine has a molecular weight of 350.40 g/mol, XLogP of 2.86, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylsulfonylpyrimidin-4-yl)-2-phenylpyrazolo[1,5-a]pyridine is sourced from PubChem (CID 58784245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).