6-(2-methylsulfinylethoxy)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile

C17H22BN3O4S — CID 163654570

IUPAC6-(2-methylsulfinylethoxy)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile
SMILESCS(=O)CCOc1cc(B2OC(C)(C)C(C)(C)O2)c2c(C#N)cnn2c1
InChIInChI=1S/C17H22BN3O4S/c1-16(2)17(3,4)25-18(24-16)14-8-13(23-6-7-26(5)22)11-21-15(14)12(9-19)10-20-21/h8,10-11H,6-7H2,1-5H3
InChIKeyIPBGGUJQBRGTSV-UHFFFAOYSA-N
MW375.26 g/mol
LogP1.26
Rot. Bonds5

About 6-(2-methylsulfinylethoxy)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile

6-(2-methylsulfinylethoxy)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile (PubChem CID 163654570) has the molecular formula C17H22BN3O4S and a molecular weight of 375.26 g/mol. Its IUPAC name is 6-(2-methylsulfinylethoxy)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-(2-methylsulfinylethoxy)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile
PubChem CID163654570
Molecular FormulaC17H22BN3O4S
Molecular Weight375.26 g/mol
Exact Mass375.14
IUPAC Name6-(2-methylsulfinylethoxy)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile
SMILESCS(=O)CCOc1cc(B2OC(C)(C)C(C)(C)O2)c2c(C#N)cnn2c1
InChIInChI=1S/C17H22BN3O4S/c1-16(2)17(3,4)25-18(24-16)14-8-13(23-6-7-26(5)22)11-21-15(14)12(9-19)10-20-21/h8,10-11H,6-7H2,1-5H3
InChIKeyIPBGGUJQBRGTSV-UHFFFAOYSA-N
XLogP1.26
TPSA85.85 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.26
LogP ≤ 51.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 6-(2-methylsulfinylethoxy)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile 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 6-(2-methylsulfinylethoxy)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile?
The IUPAC name of 6-(2-methylsulfinylethoxy)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile (CID 163654570) is 6-(2-methylsulfinylethoxy)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile.
What is the SMILES notation for 6-(2-methylsulfinylethoxy)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile?
The canonical SMILES for 6-(2-methylsulfinylethoxy)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile is CS(=O)CCOc1cc(B2OC(C)(C)C(C)(C)O2)c2c(C#N)cnn2c1.
What is the InChIKey of 6-(2-methylsulfinylethoxy)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile?
The InChIKey is IPBGGUJQBRGTSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22BN3O4S/c1-16(2)17(3,4)25-18(24-16)14-8-13(23-6-7-26(5)22)11-21-15(14)12(9-19)10-20-21/h8,10-11H,6-7H2,1-5H3.
What are the key properties of 6-(2-methylsulfinylethoxy)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile?
6-(2-methylsulfinylethoxy)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile has a molecular weight of 375.26 g/mol, XLogP of 1.26, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-methylsulfinylethoxy)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile is sourced from PubChem (CID 163654570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).