3-cyano-N-[(E)-(5-cyanopyrazolo[1,5-a]pyridin-3-yl)methylideneamino]-N-methylbenzenesulfonamide

C17H12N6O2S — CID 25172064

IUPAC3-cyano-N-[(E)-(5-cyanopyrazolo[1,5-a]pyridin-3-yl)methylideneamino]-N-methylbenzenesulfonamide
SMILESCN(/N=C/c1cnn2ccc(C#N)cc12)S(=O)(=O)c1cccc(C#N)c1
InChIInChI=1S/C17H12N6O2S/c1-22(26(24,25)16-4-2-3-13(7-16)9-18)20-11-15-12-21-23-6-5-14(10-19)8-17(15)23/h2-8,11-12H,1H3/b20-11+
InChIKeyOSINUZDYVPXZFV-RGVLZGJSSA-N
MW364.39 g/mol
LogP1.73
Rot. Bonds4

About 3-cyano-N-[(E)-(5-cyanopyrazolo[1,5-a]pyridin-3-yl)methylideneamino]-N-methylbenzenesulfonamide

3-cyano-N-[(E)-(5-cyanopyrazolo[1,5-a]pyridin-3-yl)methylideneamino]-N-methylbenzenesulfonamide (PubChem CID 25172064) has the molecular formula C17H12N6O2S and a molecular weight of 364.39 g/mol. Its IUPAC name is 3-cyano-N-[(E)-(5-cyanopyrazolo[1,5-a]pyridin-3-yl)methylideneamino]-N-methylbenzenesulfonamide.

Molecular Properties

Compound Name3-cyano-N-[(E)-(5-cyanopyrazolo[1,5-a]pyridin-3-yl)methylideneamino]-N-methylbenzenesulfonamide
PubChem CID25172064
Molecular FormulaC17H12N6O2S
Molecular Weight364.39 g/mol
Exact Mass364.07
IUPAC Name3-cyano-N-[(E)-(5-cyanopyrazolo[1,5-a]pyridin-3-yl)methylideneamino]-N-methylbenzenesulfonamide
SMILESCN(/N=C/c1cnn2ccc(C#N)cc12)S(=O)(=O)c1cccc(C#N)c1
InChIInChI=1S/C17H12N6O2S/c1-22(26(24,25)16-4-2-3-13(7-16)9-18)20-11-15-12-21-23-6-5-14(10-19)8-17(15)23/h2-8,11-12H,1H3/b20-11+
InChIKeyOSINUZDYVPXZFV-RGVLZGJSSA-N
XLogP1.73
TPSA114.62 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.39
LogP ≤ 51.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 3-cyano-N-[(E)-(5-cyanopyrazolo[1,5-a]pyridin-3-yl)methylideneamino]-N-methylbenzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-cyano-N-[(5-cyanopyrazolo[1,5-a]pyridin-3-yl)methylideneamino]-2-fluoro-N-methylbenzenesulfonamide
CID 68500942
5-bromo-N-[(5-cyanopyrazolo[1,5-a]pyridin-3-yl)methylideneamino]-N,2-dimethylbenzenesulfonamide
CID 68500770
5-cyano-N-[(Z)-(5-cyanopyrazolo[1,5-a]pyridin-3-yl)methylideneamino]-2-[2-(dimethylamino)ethyl-methylamino]-N-methylbenzenesulfonamide;hydrochloride
CID 87476589
methyl 3-[[(5-cyanopyrazolo[1,5-a]pyridin-3-yl)methylideneamino]-methylsulfamoyl]-4-methylbenzoate
CID 68502208
2-[2-aminoethyl(methyl)amino]-N-[(E)-(5-cyanopyrazolo[1,5-a]pyridin-3-yl)methylideneamino]-N-methyl-5-nitrobenzenesulfonamide
CID 134130336
N-[(Z)-(5-cyanopyrazolo[1,5-a]pyridin-3-yl)methylideneamino]-N-methyl-2-[methyl(2-piperidin-1-ylethyl)amino]-5-nitrobenzenesulfonamide;hydrochloride
CID 87476625
5-cyano-N-[(E)-(5-cyanopyrazolo[1,5-a]pyridin-3-yl)methylideneamino]-N-(2-hydroxyethyl)-2-methylbenzenesulfonamide
CID 25172475
N-[(5-cyanopyrazolo[1,5-a]pyridin-3-yl)methylideneamino]-N-ethyl-2-methyl-5-nitrobenzenesulfonamide
CID 68501801
N,2-dimethyl-5-nitro-N-[(E)-[5-(trifluoromethyl)pyrazolo[1,5-a]pyridin-3-yl]methylideneamino]benzenesulfonamide
CID 25169784
3-cyano-N-methyl-N-(3-methylbutan-2-yl)benzenesulfonamide
CID 43429214
N-[(Z)-1-(5-cyanopyrazolo[1,5-a]pyridin-3-yl)ethylideneamino]-N,2-dimethyl-5-nitrobenzenesulfonamide
CID 46834968
N-[(E)-1-(5-cyanopyrazolo[1,5-a]pyridin-3-yl)ethylideneamino]-N,2-dimethyl-5-nitrobenzenesulfonamide
CID 57391917

Frequently Asked Questions

What is the IUPAC name of 3-cyano-N-[(E)-(5-cyanopyrazolo[1,5-a]pyridin-3-yl)methylideneamino]-N-methylbenzenesulfonamide?
The IUPAC name of 3-cyano-N-[(E)-(5-cyanopyrazolo[1,5-a]pyridin-3-yl)methylideneamino]-N-methylbenzenesulfonamide (CID 25172064) is 3-cyano-N-[(E)-(5-cyanopyrazolo[1,5-a]pyridin-3-yl)methylideneamino]-N-methylbenzenesulfonamide.
What is the SMILES notation for 3-cyano-N-[(E)-(5-cyanopyrazolo[1,5-a]pyridin-3-yl)methylideneamino]-N-methylbenzenesulfonamide?
The canonical SMILES for 3-cyano-N-[(E)-(5-cyanopyrazolo[1,5-a]pyridin-3-yl)methylideneamino]-N-methylbenzenesulfonamide is CN(/N=C/c1cnn2ccc(C#N)cc12)S(=O)(=O)c1cccc(C#N)c1.
What is the InChIKey of 3-cyano-N-[(E)-(5-cyanopyrazolo[1,5-a]pyridin-3-yl)methylideneamino]-N-methylbenzenesulfonamide?
The InChIKey is OSINUZDYVPXZFV-RGVLZGJSSA-N. The full InChI is InChI=1S/C17H12N6O2S/c1-22(26(24,25)16-4-2-3-13(7-16)9-18)20-11-15-12-21-23-6-5-14(10-19)8-17(15)23/h2-8,11-12H,1H3/b20-11+.
What are the key properties of 3-cyano-N-[(E)-(5-cyanopyrazolo[1,5-a]pyridin-3-yl)methylideneamino]-N-methylbenzenesulfonamide?
3-cyano-N-[(E)-(5-cyanopyrazolo[1,5-a]pyridin-3-yl)methylideneamino]-N-methylbenzenesulfonamide has a molecular weight of 364.39 g/mol, XLogP of 1.73, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyano-N-[(E)-(5-cyanopyrazolo[1,5-a]pyridin-3-yl)methylideneamino]-N-methylbenzenesulfonamide is sourced from PubChem (CID 25172064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).