ethyl 3-[(E)-[methyl-(2-methyl-5-nitrophenyl)sulfonylhydrazinylidene]methyl]imidazo[1,2-a]pyridine-6-carboxylate

C19H19N5O6S — CID 25023752

IUPACethyl 3-[(E)-[methyl-(2-methyl-5-nitrophenyl)sulfonylhydrazinylidene]methyl]imidazo[1,2-a]pyridine-6-carboxylate
SMILESCCOC(=O)c1ccc2ncc(/C=N/N(C)S(=O)(=O)c3cc([N+](=O)[O-])ccc3C)n2c1
InChIInChI=1S/C19H19N5O6S/c1-4-30-19(25)14-6-8-18-20-10-16(23(18)12-14)11-21-22(3)31(28,29)17-9-15(24(26)27)7-5-13(17)2/h5-12H,4H2,1-3H3/b21-11+
InChIKeyKAXCNFYDDBGRBI-SRZZPIQSSA-N
MW445.46 g/mol
LogP2.38
Rot. Bonds7

About ethyl 3-[(E)-[methyl-(2-methyl-5-nitrophenyl)sulfonylhydrazinylidene]methyl]imidazo[1,2-a]pyridine-6-carboxylate

ethyl 3-[(E)-[methyl-(2-methyl-5-nitrophenyl)sulfonylhydrazinylidene]methyl]imidazo[1,2-a]pyridine-6-carboxylate (PubChem CID 25023752) has the molecular formula C19H19N5O6S and a molecular weight of 445.46 g/mol. Its IUPAC name is ethyl 3-[(E)-[methyl-(2-methyl-5-nitrophenyl)sulfonylhydrazinylidene]methyl]imidazo[1,2-a]pyridine-6-carboxylate.

Molecular Properties

Compound Nameethyl 3-[(E)-[methyl-(2-methyl-5-nitrophenyl)sulfonylhydrazinylidene]methyl]imidazo[1,2-a]pyridine-6-carboxylate
PubChem CID25023752
Molecular FormulaC19H19N5O6S
Molecular Weight445.46 g/mol
Exact Mass445.11
IUPAC Nameethyl 3-[(E)-[methyl-(2-methyl-5-nitrophenyl)sulfonylhydrazinylidene]methyl]imidazo[1,2-a]pyridine-6-carboxylate
SMILESCCOC(=O)c1ccc2ncc(/C=N/N(C)S(=O)(=O)c3cc([N+](=O)[O-])ccc3C)n2c1
InChIInChI=1S/C19H19N5O6S/c1-4-30-19(25)14-6-8-18-20-10-16(23(18)12-14)11-21-22(3)31(28,29)17-9-15(24(26)27)7-5-13(17)2/h5-12H,4H2,1-3H3/b21-11+
InChIKeyKAXCNFYDDBGRBI-SRZZPIQSSA-N
XLogP2.38
TPSA136.48 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.46
LogP ≤ 52.38
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 ethyl 3-[(E)-[methyl-(2-methyl-5-nitrophenyl)sulfonylhydrazinylidene]methyl]imidazo[1,2-a]pyridine-6-carboxylate 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 ethyl 3-[(E)-[methyl-(2-methyl-5-nitrophenyl)sulfonylhydrazinylidene]methyl]imidazo[1,2-a]pyridine-6-carboxylate?
The IUPAC name of ethyl 3-[(E)-[methyl-(2-methyl-5-nitrophenyl)sulfonylhydrazinylidene]methyl]imidazo[1,2-a]pyridine-6-carboxylate (CID 25023752) is ethyl 3-[(E)-[methyl-(2-methyl-5-nitrophenyl)sulfonylhydrazinylidene]methyl]imidazo[1,2-a]pyridine-6-carboxylate.
What is the SMILES notation for ethyl 3-[(E)-[methyl-(2-methyl-5-nitrophenyl)sulfonylhydrazinylidene]methyl]imidazo[1,2-a]pyridine-6-carboxylate?
The canonical SMILES for ethyl 3-[(E)-[methyl-(2-methyl-5-nitrophenyl)sulfonylhydrazinylidene]methyl]imidazo[1,2-a]pyridine-6-carboxylate is CCOC(=O)c1ccc2ncc(/C=N/N(C)S(=O)(=O)c3cc([N+](=O)[O-])ccc3C)n2c1.
What is the InChIKey of ethyl 3-[(E)-[methyl-(2-methyl-5-nitrophenyl)sulfonylhydrazinylidene]methyl]imidazo[1,2-a]pyridine-6-carboxylate?
The InChIKey is KAXCNFYDDBGRBI-SRZZPIQSSA-N. The full InChI is InChI=1S/C19H19N5O6S/c1-4-30-19(25)14-6-8-18-20-10-16(23(18)12-14)11-21-22(3)31(28,29)17-9-15(24(26)27)7-5-13(17)2/h5-12H,4H2,1-3H3/b21-11+.
What are the key properties of ethyl 3-[(E)-[methyl-(2-methyl-5-nitrophenyl)sulfonylhydrazinylidene]methyl]imidazo[1,2-a]pyridine-6-carboxylate?
ethyl 3-[(E)-[methyl-(2-methyl-5-nitrophenyl)sulfonylhydrazinylidene]methyl]imidazo[1,2-a]pyridine-6-carboxylate has a molecular weight of 445.46 g/mol, XLogP of 2.38, 7 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[(E)-[methyl-(2-methyl-5-nitrophenyl)sulfonylhydrazinylidene]methyl]imidazo[1,2-a]pyridine-6-carboxylate is sourced from PubChem (CID 25023752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).