N-[3-[[(E)-(5-cyanopyrazolo[1,5-a]pyridin-3-yl)methylideneamino]-methylsulfamoyl]-4-methylphenyl]-2,2,2-trifluoroacetamide

C19H15F3N6O3S — CID 57398895

IUPACN-[3-[[(E)-(5-cyanopyrazolo[1,5-a]pyridin-3-yl)methylideneamino]-methylsulfamoyl]-4-methylphenyl]-2,2,2-trifluoroacetamide
SMILESCc1ccc(NC(=O)C(F)(F)F)cc1S(=O)(=O)N(C)/N=C/c1cnn2ccc(C#N)cc12
InChIInChI=1S/C19H15F3N6O3S/c1-12-3-4-15(26-18(29)19(20,21)22)8-17(12)32(30,31)27(2)24-10-14-11-25-28-6-5-13(9-23)7-16(14)28/h3-8,10-11H,1-2H3,(H,26,29)/b24-10+
InChIKeyUKJAQMRZCUOVML-YSURURNPSA-N
MW464.43 g/mol
LogP2.67
Rot. Bonds5

About N-[3-[[(E)-(5-cyanopyrazolo[1,5-a]pyridin-3-yl)methylideneamino]-methylsulfamoyl]-4-methylphenyl]-2,2,2-trifluoroacetamide

N-[3-[[(E)-(5-cyanopyrazolo[1,5-a]pyridin-3-yl)methylideneamino]-methylsulfamoyl]-4-methylphenyl]-2,2,2-trifluoroacetamide (PubChem CID 57398895) has the molecular formula C19H15F3N6O3S and a molecular weight of 464.43 g/mol. Its IUPAC name is N-[3-[[(E)-(5-cyanopyrazolo[1,5-a]pyridin-3-yl)methylideneamino]-methylsulfamoyl]-4-methylphenyl]-2,2,2-trifluoroacetamide.

Molecular Properties

Compound NameN-[3-[[(E)-(5-cyanopyrazolo[1,5-a]pyridin-3-yl)methylideneamino]-methylsulfamoyl]-4-methylphenyl]-2,2,2-trifluoroacetamide
PubChem CID57398895
Molecular FormulaC19H15F3N6O3S
Molecular Weight464.43 g/mol
Exact Mass464.09
IUPAC NameN-[3-[[(E)-(5-cyanopyrazolo[1,5-a]pyridin-3-yl)methylideneamino]-methylsulfamoyl]-4-methylphenyl]-2,2,2-trifluoroacetamide
SMILESCc1ccc(NC(=O)C(F)(F)F)cc1S(=O)(=O)N(C)/N=C/c1cnn2ccc(C#N)cc12
InChIInChI=1S/C19H15F3N6O3S/c1-12-3-4-15(26-18(29)19(20,21)22)8-17(12)32(30,31)27(2)24-10-14-11-25-28-6-5-13(9-23)7-16(14)28/h3-8,10-11H,1-2H3,(H,26,29)/b24-10+
InChIKeyUKJAQMRZCUOVML-YSURURNPSA-N
XLogP2.67
TPSA119.93 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.43
LogP ≤ 52.67
H-Bond Donors ≤ 51
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

N-[(E)-(5-cyanopyrazolo[1,5-a]pyridin-3-yl)methylideneamino]-N,2-dimethyl-5-nitrobenzenesulfonamide
CID 25172062
N-[(E)-(5-cyanopyrazolo[1,5-a]pyridin-3-yl)methylideneamino]-N-(2-hydroxyethyl)-2-methyl-5-nitrobenzenesulfonamide
CID 25172477
N-[(E)-(5-cyanopyrazolo[1,5-a]pyridin-3-yl)methylideneamino]-N-ethyl-2-methyl-5-nitrobenzenesulfonamide
CID 25172661
N,2-dimethyl-5-nitro-N-[(E)-[5-(trifluoromethyl)pyrazolo[1,5-a]pyridin-3-yl]methylideneamino]benzenesulfonamide
CID 25169784
N-[(E)-(5-cyanopyrazolo[1,5-a]pyridin-3-yl)methylideneamino]-2-fluoro-N-methyl-5-nitrobenzenesulfonamide
CID 25170003
N-[(E)-(5-cyanopyrazolo[1,5-a]pyridin-3-yl)methylideneamino]-N-methyl-3-nitrobenzenesulfonamide
CID 25172063
N-[(E)-(5-cyanopyrazolo[1,5-a]pyridin-3-yl)methylideneamino]-N,2-dimethyl-5-(trifluoromethyl)benzenesulfonamide
CID 25172065
N-[(E)-(5-cyanopyrazolo[1,5-a]pyridin-3-yl)methylideneamino]-N,2-dimethylbenzenesulfonamide
CID 25172066
N-[(E)-(5-cyanopyrazolo[1,5-a]pyridin-3-yl)methylideneamino]-5-fluoro-N,2-dimethylbenzenesulfonamide
CID 25172271
N-[(E)-(5-cyanopyrazolo[1,5-a]pyridin-3-yl)methylideneamino]-2-methyl-5-nitrobenzenesulfonamide
CID 25172479
N-[(E)-(5-cyanopyrazolo[1,5-a]pyridin-3-yl)methylideneamino]-N-[2-(diethylamino)ethyl]-2-methyl-5-nitrobenzenesulfonamide
CID 25172662
N-[(E)-(5-cyanopyrazolo[1,5-a]pyridin-3-yl)methylideneamino]-N-[2-(dimethylamino)ethyl]-2-methyl-5-nitrobenzenesulfonamide
CID 25172663

Frequently Asked Questions

What is the IUPAC name of N-[3-[[(E)-(5-cyanopyrazolo[1,5-a]pyridin-3-yl)methylideneamino]-methylsulfamoyl]-4-methylphenyl]-2,2,2-trifluoroacetamide?
The IUPAC name of N-[3-[[(E)-(5-cyanopyrazolo[1,5-a]pyridin-3-yl)methylideneamino]-methylsulfamoyl]-4-methylphenyl]-2,2,2-trifluoroacetamide (CID 57398895) is N-[3-[[(E)-(5-cyanopyrazolo[1,5-a]pyridin-3-yl)methylideneamino]-methylsulfamoyl]-4-methylphenyl]-2,2,2-trifluoroacetamide.
What is the SMILES notation for N-[3-[[(E)-(5-cyanopyrazolo[1,5-a]pyridin-3-yl)methylideneamino]-methylsulfamoyl]-4-methylphenyl]-2,2,2-trifluoroacetamide?
The canonical SMILES for N-[3-[[(E)-(5-cyanopyrazolo[1,5-a]pyridin-3-yl)methylideneamino]-methylsulfamoyl]-4-methylphenyl]-2,2,2-trifluoroacetamide is Cc1ccc(NC(=O)C(F)(F)F)cc1S(=O)(=O)N(C)/N=C/c1cnn2ccc(C#N)cc12.
What is the InChIKey of N-[3-[[(E)-(5-cyanopyrazolo[1,5-a]pyridin-3-yl)methylideneamino]-methylsulfamoyl]-4-methylphenyl]-2,2,2-trifluoroacetamide?
The InChIKey is UKJAQMRZCUOVML-YSURURNPSA-N. The full InChI is InChI=1S/C19H15F3N6O3S/c1-12-3-4-15(26-18(29)19(20,21)22)8-17(12)32(30,31)27(2)24-10-14-11-25-28-6-5-13(9-23)7-16(14)28/h3-8,10-11H,1-2H3,(H,26,29)/b24-10+.
What are the key properties of N-[3-[[(E)-(5-cyanopyrazolo[1,5-a]pyridin-3-yl)methylideneamino]-methylsulfamoyl]-4-methylphenyl]-2,2,2-trifluoroacetamide?
N-[3-[[(E)-(5-cyanopyrazolo[1,5-a]pyridin-3-yl)methylideneamino]-methylsulfamoyl]-4-methylphenyl]-2,2,2-trifluoroacetamide has a molecular weight of 464.43 g/mol, XLogP of 2.67, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[(E)-(5-cyanopyrazolo[1,5-a]pyridin-3-yl)methylideneamino]-methylsulfamoyl]-4-methylphenyl]-2,2,2-trifluoroacetamide is sourced from PubChem (CID 57398895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).