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

C22H24N8O2S — CID 68502742

IUPAC5-cyano-N-[(E)-(5-cyanopyrazolo[1,5-a]pyridin-3-yl)methylideneamino]-2-[2-(dimethylamino)ethyl-methylamino]-N-methylbenzenesulfonamide
SMILESCN(C)CCN(C)c1ccc(C#N)cc1S(=O)(=O)N(C)/N=C/c1cnn2ccc(C#N)cc12
InChIInChI=1S/C22H24N8O2S/c1-27(2)9-10-28(3)20-6-5-17(13-23)12-22(20)33(31,32)29(4)25-15-19-16-26-30-8-7-18(14-24)11-21(19)30/h5-8,11-12,15-16H,9-10H2,1-4H3/b25-15+
InChIKeyBRCHSRCZNYQTCR-MFKUBSTISA-N
MW464.56 g/mol
LogP1.73
Rot. Bonds8

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

5-cyano-N-[(E)-(5-cyanopyrazolo[1,5-a]pyridin-3-yl)methylideneamino]-2-[2-(dimethylamino)ethyl-methylamino]-N-methylbenzenesulfonamide (PubChem CID 68502742) has the molecular formula C22H24N8O2S and a molecular weight of 464.56 g/mol. Its IUPAC name is 5-cyano-N-[(E)-(5-cyanopyrazolo[1,5-a]pyridin-3-yl)methylideneamino]-2-[2-(dimethylamino)ethyl-methylamino]-N-methylbenzenesulfonamide.

Molecular Properties

Compound Name5-cyano-N-[(E)-(5-cyanopyrazolo[1,5-a]pyridin-3-yl)methylideneamino]-2-[2-(dimethylamino)ethyl-methylamino]-N-methylbenzenesulfonamide
PubChem CID68502742
Molecular FormulaC22H24N8O2S
Molecular Weight464.56 g/mol
Exact Mass464.17
IUPAC Name5-cyano-N-[(E)-(5-cyanopyrazolo[1,5-a]pyridin-3-yl)methylideneamino]-2-[2-(dimethylamino)ethyl-methylamino]-N-methylbenzenesulfonamide
SMILESCN(C)CCN(C)c1ccc(C#N)cc1S(=O)(=O)N(C)/N=C/c1cnn2ccc(C#N)cc12
InChIInChI=1S/C22H24N8O2S/c1-27(2)9-10-28(3)20-6-5-17(13-23)12-22(20)33(31,32)29(4)25-15-19-16-26-30-8-7-18(14-24)11-21(19)30/h5-8,11-12,15-16H,9-10H2,1-4H3/b25-15+
InChIKeyBRCHSRCZNYQTCR-MFKUBSTISA-N
XLogP1.73
TPSA121.10 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.56
LogP ≤ 51.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

Analyze 5-cyano-N-[(E)-(5-cyanopyrazolo[1,5-a]pyridin-3-yl)methylideneamino]-2-[2-(dimethylamino)ethyl-methylamino]-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

Frequently Asked Questions

What is the IUPAC name of 5-cyano-N-[(E)-(5-cyanopyrazolo[1,5-a]pyridin-3-yl)methylideneamino]-2-[2-(dimethylamino)ethyl-methylamino]-N-methylbenzenesulfonamide?
The IUPAC name of 5-cyano-N-[(E)-(5-cyanopyrazolo[1,5-a]pyridin-3-yl)methylideneamino]-2-[2-(dimethylamino)ethyl-methylamino]-N-methylbenzenesulfonamide (CID 68502742) is 5-cyano-N-[(E)-(5-cyanopyrazolo[1,5-a]pyridin-3-yl)methylideneamino]-2-[2-(dimethylamino)ethyl-methylamino]-N-methylbenzenesulfonamide.
What is the SMILES notation for 5-cyano-N-[(E)-(5-cyanopyrazolo[1,5-a]pyridin-3-yl)methylideneamino]-2-[2-(dimethylamino)ethyl-methylamino]-N-methylbenzenesulfonamide?
The canonical SMILES for 5-cyano-N-[(E)-(5-cyanopyrazolo[1,5-a]pyridin-3-yl)methylideneamino]-2-[2-(dimethylamino)ethyl-methylamino]-N-methylbenzenesulfonamide is CN(C)CCN(C)c1ccc(C#N)cc1S(=O)(=O)N(C)/N=C/c1cnn2ccc(C#N)cc12.
What is the InChIKey of 5-cyano-N-[(E)-(5-cyanopyrazolo[1,5-a]pyridin-3-yl)methylideneamino]-2-[2-(dimethylamino)ethyl-methylamino]-N-methylbenzenesulfonamide?
The InChIKey is BRCHSRCZNYQTCR-MFKUBSTISA-N. The full InChI is InChI=1S/C22H24N8O2S/c1-27(2)9-10-28(3)20-6-5-17(13-23)12-22(20)33(31,32)29(4)25-15-19-16-26-30-8-7-18(14-24)11-21(19)30/h5-8,11-12,15-16H,9-10H2,1-4H3/b25-15+.
What are the key properties of 5-cyano-N-[(E)-(5-cyanopyrazolo[1,5-a]pyridin-3-yl)methylideneamino]-2-[2-(dimethylamino)ethyl-methylamino]-N-methylbenzenesulfonamide?
5-cyano-N-[(E)-(5-cyanopyrazolo[1,5-a]pyridin-3-yl)methylideneamino]-2-[2-(dimethylamino)ethyl-methylamino]-N-methylbenzenesulfonamide has a molecular weight of 464.56 g/mol, XLogP of 1.73, 8 rotatable bonds, 0 hydrogen bond donors, and 9 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]-2-[2-(dimethylamino)ethyl-methylamino]-N-methylbenzenesulfonamide is sourced from PubChem (CID 68502742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).