5-cyano-N-[(5-cyanopyrazolo[1,5-a]pyridin-3-yl)methylideneamino]-2-fluoro-N-methylbenzenesulfonamide

C17H11FN6O2S — CID 68500942

IUPAC5-cyano-N-[(5-cyanopyrazolo[1,5-a]pyridin-3-yl)methylideneamino]-2-fluoro-N-methylbenzenesulfonamide
SMILESCN(N=Cc1cnn2ccc(C#N)cc12)S(=O)(=O)c1cc(C#N)ccc1F
InChIInChI=1S/C17H11FN6O2S/c1-23(27(25,26)17-7-12(8-19)2-3-15(17)18)21-10-14-11-22-24-5-4-13(9-20)6-16(14)24/h2-7,10-11H,1H3
InChIKeyCOYGZYXTBVAKQC-UHFFFAOYSA-N
MW382.38 g/mol
LogP1.87
Rot. Bonds4

About 5-cyano-N-[(5-cyanopyrazolo[1,5-a]pyridin-3-yl)methylideneamino]-2-fluoro-N-methylbenzenesulfonamide

5-cyano-N-[(5-cyanopyrazolo[1,5-a]pyridin-3-yl)methylideneamino]-2-fluoro-N-methylbenzenesulfonamide (PubChem CID 68500942) has the molecular formula C17H11FN6O2S and a molecular weight of 382.38 g/mol. Its IUPAC name is 5-cyano-N-[(5-cyanopyrazolo[1,5-a]pyridin-3-yl)methylideneamino]-2-fluoro-N-methylbenzenesulfonamide.

Molecular Properties

Compound Name5-cyano-N-[(5-cyanopyrazolo[1,5-a]pyridin-3-yl)methylideneamino]-2-fluoro-N-methylbenzenesulfonamide
PubChem CID68500942
Molecular FormulaC17H11FN6O2S
Molecular Weight382.38 g/mol
Exact Mass382.06
IUPAC Name5-cyano-N-[(5-cyanopyrazolo[1,5-a]pyridin-3-yl)methylideneamino]-2-fluoro-N-methylbenzenesulfonamide
SMILESCN(N=Cc1cnn2ccc(C#N)cc12)S(=O)(=O)c1cc(C#N)ccc1F
InChIInChI=1S/C17H11FN6O2S/c1-23(27(25,26)17-7-12(8-19)2-3-15(17)18)21-10-14-11-22-24-5-4-13(9-20)6-16(14)24/h2-7,10-11H,1H3
InChIKeyCOYGZYXTBVAKQC-UHFFFAOYSA-N
XLogP1.87
TPSA114.62 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.38
LogP ≤ 51.87
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'}

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Related Compounds

5-cyano-N-[(Z)-(5-cyanopyrazolo[1,5-a]pyridin-3-yl)methylideneamino]-2-[2-(dimethylamino)ethyl-methylamino]-N-methylbenzenesulfonamide;hydrochloride
CID 87476589
3-cyano-N-[(E)-(5-cyanopyrazolo[1,5-a]pyridin-3-yl)methylideneamino]-N-methylbenzenesulfonamide
CID 25172064
5-bromo-N-[(5-cyanopyrazolo[1,5-a]pyridin-3-yl)methylideneamino]-N,2-dimethylbenzenesulfonamide
CID 68500770
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
5-cyano-N-[(E)-(5-cyanopyrazolo[1,5-a]pyridin-3-yl)methylideneamino]-N-(2-hydroxyethyl)-2-methylbenzenesulfonamide
CID 25172475
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
N-[(E)-(5-cyanopyrazolo[1,5-a]pyridin-3-yl)methylideneamino]-N-methyl-2-[methyl(2-morpholin-4-ylethyl)amino]-5-nitrobenzenesulfonamide
CID 68502623
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
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 5-cyano-N-[(5-cyanopyrazolo[1,5-a]pyridin-3-yl)methylideneamino]-2-fluoro-N-methylbenzenesulfonamide?
The IUPAC name of 5-cyano-N-[(5-cyanopyrazolo[1,5-a]pyridin-3-yl)methylideneamino]-2-fluoro-N-methylbenzenesulfonamide (CID 68500942) is 5-cyano-N-[(5-cyanopyrazolo[1,5-a]pyridin-3-yl)methylideneamino]-2-fluoro-N-methylbenzenesulfonamide.
What is the SMILES notation for 5-cyano-N-[(5-cyanopyrazolo[1,5-a]pyridin-3-yl)methylideneamino]-2-fluoro-N-methylbenzenesulfonamide?
The canonical SMILES for 5-cyano-N-[(5-cyanopyrazolo[1,5-a]pyridin-3-yl)methylideneamino]-2-fluoro-N-methylbenzenesulfonamide is CN(N=Cc1cnn2ccc(C#N)cc12)S(=O)(=O)c1cc(C#N)ccc1F.
What is the InChIKey of 5-cyano-N-[(5-cyanopyrazolo[1,5-a]pyridin-3-yl)methylideneamino]-2-fluoro-N-methylbenzenesulfonamide?
The InChIKey is COYGZYXTBVAKQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11FN6O2S/c1-23(27(25,26)17-7-12(8-19)2-3-15(17)18)21-10-14-11-22-24-5-4-13(9-20)6-16(14)24/h2-7,10-11H,1H3.
What are the key properties of 5-cyano-N-[(5-cyanopyrazolo[1,5-a]pyridin-3-yl)methylideneamino]-2-fluoro-N-methylbenzenesulfonamide?
5-cyano-N-[(5-cyanopyrazolo[1,5-a]pyridin-3-yl)methylideneamino]-2-fluoro-N-methylbenzenesulfonamide has a molecular weight of 382.38 g/mol, XLogP of 1.87, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyano-N-[(5-cyanopyrazolo[1,5-a]pyridin-3-yl)methylideneamino]-2-fluoro-N-methylbenzenesulfonamide is sourced from PubChem (CID 68500942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).