N-[(E)-(5-cyanopyrazolo[1,5-a]pyridin-3-yl)methylideneamino]-N-[2-(dimethylamino)ethyl]-2-methyl-5-nitrobenzenesulfonamide

C20H21N7O4S — CID 25172663

IUPACN-[(E)-(5-cyanopyrazolo[1,5-a]pyridin-3-yl)methylideneamino]-N-[2-(dimethylamino)ethyl]-2-methyl-5-nitrobenzenesulfonamide
SMILESCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N(CCN(C)C)/N=C/c1cnn2ccc(C#N)cc12
InChIInChI=1S/C20H21N7O4S/c1-15-4-5-18(27(28)29)11-20(15)32(30,31)26(9-8-24(2)3)23-14-17-13-22-25-7-6-16(12-21)10-19(17)25/h4-7,10-11,13-14H,8-9H2,1-3H3/b23-14+
InChIKeyOZMYOUXNQXTVPX-OEAKJJBVSA-N
MW455.50 g/mol
LogP2.01
Rot. Bonds8

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

N-[(E)-(5-cyanopyrazolo[1,5-a]pyridin-3-yl)methylideneamino]-N-[2-(dimethylamino)ethyl]-2-methyl-5-nitrobenzenesulfonamide (PubChem CID 25172663) has the molecular formula C20H21N7O4S and a molecular weight of 455.50 g/mol. Its IUPAC name is N-[(E)-(5-cyanopyrazolo[1,5-a]pyridin-3-yl)methylideneamino]-N-[2-(dimethylamino)ethyl]-2-methyl-5-nitrobenzenesulfonamide.

Molecular Properties

Compound NameN-[(E)-(5-cyanopyrazolo[1,5-a]pyridin-3-yl)methylideneamino]-N-[2-(dimethylamino)ethyl]-2-methyl-5-nitrobenzenesulfonamide
PubChem CID25172663
Molecular FormulaC20H21N7O4S
Molecular Weight455.50 g/mol
Exact Mass455.14
IUPAC NameN-[(E)-(5-cyanopyrazolo[1,5-a]pyridin-3-yl)methylideneamino]-N-[2-(dimethylamino)ethyl]-2-methyl-5-nitrobenzenesulfonamide
SMILESCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N(CCN(C)C)/N=C/c1cnn2ccc(C#N)cc12
InChIInChI=1S/C20H21N7O4S/c1-15-4-5-18(27(28)29)11-20(15)32(30,31)26(9-8-24(2)3)23-14-17-13-22-25-7-6-16(12-21)10-19(17)25/h4-7,10-11,13-14H,8-9H2,1-3H3/b23-14+
InChIKeyOZMYOUXNQXTVPX-OEAKJJBVSA-N
XLogP2.01
TPSA137.21 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.50
LogP ≤ 52.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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

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
2-chloro-N-[(E)-(5-cyanopyrazolo[1,5-a]pyridin-3-yl)methylideneamino]-N-methyl-5-nitrobenzenesulfonamide
CID 57397253
N-[(E)-(5-cyanopyrazolo[1,5-a]pyrimidin-3-yl)methylideneamino]-N,2-dimethyl-5-nitrobenzenesulfonamide
CID 122188275
3-[(E)-[methyl-(2-methyl-5-nitrophenyl)sulfonylhydrazinylidene]methyl]pyrazolo[1,5-a]pyridine-5-carboxamide
CID 25170000
2-((2-Methyl-5-nitrophenyl)sulfonyl)-1-phenyl-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazine
CID 16032932
1-(2-Fluorophenyl)-2-((2-methyl-5-nitrophenyl)sulfonyl)-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazine
CID 16032945
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]-2-[2-(dimethylamino)ethyl-methylamino]-N-methyl-5-nitrobenzenesulfonamide
CID 25170004
N-[(E)-(5-cyanopyrazolo[1,5-a]pyridin-3-yl)methylideneamino]-2-[2-(dimethylamino)ethylamino]-N-methyl-5-nitrobenzenesulfonamide
CID 25170005

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(5-cyanopyrazolo[1,5-a]pyridin-3-yl)methylideneamino]-N-[2-(dimethylamino)ethyl]-2-methyl-5-nitrobenzenesulfonamide?
The IUPAC name of N-[(E)-(5-cyanopyrazolo[1,5-a]pyridin-3-yl)methylideneamino]-N-[2-(dimethylamino)ethyl]-2-methyl-5-nitrobenzenesulfonamide (CID 25172663) is N-[(E)-(5-cyanopyrazolo[1,5-a]pyridin-3-yl)methylideneamino]-N-[2-(dimethylamino)ethyl]-2-methyl-5-nitrobenzenesulfonamide.
What is the SMILES notation for N-[(E)-(5-cyanopyrazolo[1,5-a]pyridin-3-yl)methylideneamino]-N-[2-(dimethylamino)ethyl]-2-methyl-5-nitrobenzenesulfonamide?
The canonical SMILES for N-[(E)-(5-cyanopyrazolo[1,5-a]pyridin-3-yl)methylideneamino]-N-[2-(dimethylamino)ethyl]-2-methyl-5-nitrobenzenesulfonamide is Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N(CCN(C)C)/N=C/c1cnn2ccc(C#N)cc12.
What is the InChIKey of N-[(E)-(5-cyanopyrazolo[1,5-a]pyridin-3-yl)methylideneamino]-N-[2-(dimethylamino)ethyl]-2-methyl-5-nitrobenzenesulfonamide?
The InChIKey is OZMYOUXNQXTVPX-OEAKJJBVSA-N. The full InChI is InChI=1S/C20H21N7O4S/c1-15-4-5-18(27(28)29)11-20(15)32(30,31)26(9-8-24(2)3)23-14-17-13-22-25-7-6-16(12-21)10-19(17)25/h4-7,10-11,13-14H,8-9H2,1-3H3/b23-14+.
What are the key properties of N-[(E)-(5-cyanopyrazolo[1,5-a]pyridin-3-yl)methylideneamino]-N-[2-(dimethylamino)ethyl]-2-methyl-5-nitrobenzenesulfonamide?
N-[(E)-(5-cyanopyrazolo[1,5-a]pyridin-3-yl)methylideneamino]-N-[2-(dimethylamino)ethyl]-2-methyl-5-nitrobenzenesulfonamide has a molecular weight of 455.50 g/mol, XLogP of 2.01, 8 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(5-cyanopyrazolo[1,5-a]pyridin-3-yl)methylideneamino]-N-[2-(dimethylamino)ethyl]-2-methyl-5-nitrobenzenesulfonamide is sourced from PubChem (CID 25172663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).