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

C19H16N6O3S — CID 25172475

IUPAC5-cyano-N-[(E)-(5-cyanopyrazolo[1,5-a]pyridin-3-yl)methylideneamino]-N-(2-hydroxyethyl)-2-methylbenzenesulfonamide
SMILESCc1ccc(C#N)cc1S(=O)(=O)N(CCO)/N=C/c1cnn2ccc(C#N)cc12
InChIInChI=1S/C19H16N6O3S/c1-14-2-3-15(10-20)9-19(14)29(27,28)25(6-7-26)23-13-17-12-22-24-5-4-16(11-21)8-18(17)24/h2-5,8-9,12-13,26H,6-7H2,1H3/b23-13+
InChIKeyGCCYOOXONQIUAO-YDZHTSKRSA-N
MW408.44 g/mol
LogP1.40
Rot. Bonds6

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

5-cyano-N-[(E)-(5-cyanopyrazolo[1,5-a]pyridin-3-yl)methylideneamino]-N-(2-hydroxyethyl)-2-methylbenzenesulfonamide (PubChem CID 25172475) has the molecular formula C19H16N6O3S and a molecular weight of 408.44 g/mol. Its IUPAC name is 5-cyano-N-[(E)-(5-cyanopyrazolo[1,5-a]pyridin-3-yl)methylideneamino]-N-(2-hydroxyethyl)-2-methylbenzenesulfonamide.

Molecular Properties

Compound Name5-cyano-N-[(E)-(5-cyanopyrazolo[1,5-a]pyridin-3-yl)methylideneamino]-N-(2-hydroxyethyl)-2-methylbenzenesulfonamide
PubChem CID25172475
Molecular FormulaC19H16N6O3S
Molecular Weight408.44 g/mol
Exact Mass408.10
IUPAC Name5-cyano-N-[(E)-(5-cyanopyrazolo[1,5-a]pyridin-3-yl)methylideneamino]-N-(2-hydroxyethyl)-2-methylbenzenesulfonamide
SMILESCc1ccc(C#N)cc1S(=O)(=O)N(CCO)/N=C/c1cnn2ccc(C#N)cc12
InChIInChI=1S/C19H16N6O3S/c1-14-2-3-15(10-20)9-19(14)29(27,28)25(6-7-26)23-13-17-12-22-24-5-4-16(11-21)8-18(17)24/h2-5,8-9,12-13,26H,6-7H2,1H3/b23-13+
InChIKeyGCCYOOXONQIUAO-YDZHTSKRSA-N
XLogP1.40
TPSA134.85 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.44
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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

N-[(5-cyanopyrazolo[1,5-a]pyridin-3-yl)methylideneamino]-N-ethyl-2-methyl-5-nitrobenzenesulfonamide
CID 68501801
5-bromo-N-[(5-cyanopyrazolo[1,5-a]pyridin-3-yl)methylideneamino]-N,2-dimethylbenzenesulfonamide
CID 68500770
N-(2-hydroxyethyl)-2-methyl-5-nitro-N-[(E)-pyrazolo[1,5-a]pyridin-3-ylmethylideneamino]benzenesulfonamide
CID 25172478
methyl 3-[[(5-cyanopyrazolo[1,5-a]pyridin-3-yl)methylideneamino]-methylsulfamoyl]-4-methylbenzoate
CID 68502208
5-cyano-N-[(5-cyanopyrazolo[1,5-a]pyridin-3-yl)methylideneamino]-2-fluoro-N-methylbenzenesulfonamide
CID 68500942
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
2-[2-aminoethyl(methyl)amino]-N-[(E)-(5-cyanopyrazolo[1,5-a]pyridin-3-yl)methylideneamino]-N-methyl-5-nitrobenzenesulfonamide
CID 134130336
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
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

Frequently Asked Questions

What is the IUPAC name of 5-cyano-N-[(E)-(5-cyanopyrazolo[1,5-a]pyridin-3-yl)methylideneamino]-N-(2-hydroxyethyl)-2-methylbenzenesulfonamide?
The IUPAC name of 5-cyano-N-[(E)-(5-cyanopyrazolo[1,5-a]pyridin-3-yl)methylideneamino]-N-(2-hydroxyethyl)-2-methylbenzenesulfonamide (CID 25172475) is 5-cyano-N-[(E)-(5-cyanopyrazolo[1,5-a]pyridin-3-yl)methylideneamino]-N-(2-hydroxyethyl)-2-methylbenzenesulfonamide.
What is the SMILES notation for 5-cyano-N-[(E)-(5-cyanopyrazolo[1,5-a]pyridin-3-yl)methylideneamino]-N-(2-hydroxyethyl)-2-methylbenzenesulfonamide?
The canonical SMILES for 5-cyano-N-[(E)-(5-cyanopyrazolo[1,5-a]pyridin-3-yl)methylideneamino]-N-(2-hydroxyethyl)-2-methylbenzenesulfonamide is Cc1ccc(C#N)cc1S(=O)(=O)N(CCO)/N=C/c1cnn2ccc(C#N)cc12.
What is the InChIKey of 5-cyano-N-[(E)-(5-cyanopyrazolo[1,5-a]pyridin-3-yl)methylideneamino]-N-(2-hydroxyethyl)-2-methylbenzenesulfonamide?
The InChIKey is GCCYOOXONQIUAO-YDZHTSKRSA-N. The full InChI is InChI=1S/C19H16N6O3S/c1-14-2-3-15(10-20)9-19(14)29(27,28)25(6-7-26)23-13-17-12-22-24-5-4-16(11-21)8-18(17)24/h2-5,8-9,12-13,26H,6-7H2,1H3/b23-13+.
What are the key properties of 5-cyano-N-[(E)-(5-cyanopyrazolo[1,5-a]pyridin-3-yl)methylideneamino]-N-(2-hydroxyethyl)-2-methylbenzenesulfonamide?
5-cyano-N-[(E)-(5-cyanopyrazolo[1,5-a]pyridin-3-yl)methylideneamino]-N-(2-hydroxyethyl)-2-methylbenzenesulfonamide has a molecular weight of 408.44 g/mol, XLogP of 1.40, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyano-N-[(E)-(5-cyanopyrazolo[1,5-a]pyridin-3-yl)methylideneamino]-N-(2-hydroxyethyl)-2-methylbenzenesulfonamide is sourced from PubChem (CID 25172475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).