ethyl 5-[(2-methyl-5-nitrophenyl)sulfonylamino]pyrazolo[1,5-a]pyridine-3-carboxylate

C17H16N4O6S — CID 90556763

IUPACethyl 5-[(2-methyl-5-nitrophenyl)sulfonylamino]pyrazolo[1,5-a]pyridine-3-carboxylate
SMILESCCOC(=O)c1cnn2ccc(NS(=O)(=O)c3cc([N+](=O)[O-])ccc3C)cc12
InChIInChI=1S/C17H16N4O6S/c1-3-27-17(22)14-10-18-20-7-6-12(8-15(14)20)19-28(25,26)16-9-13(21(23)24)5-4-11(16)2/h4-10,19H,3H2,1-2H3
InChIKeyCVWZAWYJJQFJCO-UHFFFAOYSA-N
MW404.40 g/mol
LogP2.53
Rot. Bonds6

About ethyl 5-[(2-methyl-5-nitrophenyl)sulfonylamino]pyrazolo[1,5-a]pyridine-3-carboxylate

ethyl 5-[(2-methyl-5-nitrophenyl)sulfonylamino]pyrazolo[1,5-a]pyridine-3-carboxylate (PubChem CID 90556763) has the molecular formula C17H16N4O6S and a molecular weight of 404.40 g/mol. Its IUPAC name is ethyl 5-[(2-methyl-5-nitrophenyl)sulfonylamino]pyrazolo[1,5-a]pyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 5-[(2-methyl-5-nitrophenyl)sulfonylamino]pyrazolo[1,5-a]pyridine-3-carboxylate
PubChem CID90556763
Molecular FormulaC17H16N4O6S
Molecular Weight404.40 g/mol
Exact Mass404.08
IUPAC Nameethyl 5-[(2-methyl-5-nitrophenyl)sulfonylamino]pyrazolo[1,5-a]pyridine-3-carboxylate
SMILESCCOC(=O)c1cnn2ccc(NS(=O)(=O)c3cc([N+](=O)[O-])ccc3C)cc12
InChIInChI=1S/C17H16N4O6S/c1-3-27-17(22)14-10-18-20-7-6-12(8-15(14)20)19-28(25,26)16-9-13(21(23)24)5-4-11(16)2/h4-10,19H,3H2,1-2H3
InChIKeyCVWZAWYJJQFJCO-UHFFFAOYSA-N
XLogP2.53
TPSA132.91 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.40
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

ethyl 5-[(3,4-dimethylphenyl)sulfonylamino]pyrazolo[1,5-a]pyridine-3-carboxylate
CID 90556752
ethyl 5-[(3,5-difluorophenyl)sulfonylamino]pyrazolo[1,5-a]pyridine-3-carboxylate
CID 90556795
N-[(Z)-1-(5-cyanopyrazolo[1,5-a]pyridin-3-yl)propylideneamino]-2-methyl-5-nitrobenzenesulfonamide
CID 46830642
ethyl 2-methyl-5-[(2-methyl-5-nitrophenyl)sulfonylamino]-1-benzofuran-3-carboxylate
CID 4089737
ethyl 5-[(2-chloroacetyl)amino]pyrazolo[1,5-a]pyridine-3-carboxylate
CID 90556540
2-carboxy-5-[(2-methyl-5-nitrophenyl)sulfonylamino]phenolate
CID 54725190
2-methyl-N-(4-methyl-3-nitrophenyl)-5-nitrobenzenesulfonamide
CID 2796554
N-(6-amino-3-pyridinyl)-2-methyl-5-nitrobenzenesulfonamide
CID 60792562
phenacyl 2-[(2-methyl-5-nitrophenyl)sulfonylamino]benzoate
CID 3311794
N-(4-iodophenyl)-2-methyl-5-nitrobenzenesulfonamide
CID 2920673
2-methyl-5-nitro-N-(3-pyrazol-1-ylphenyl)benzenesulfonamide
CID 55700067
ethyl 5-[[(E)-3-methylsulfanylprop-2-enoyl]amino]pyrazolo[1,5-a]pyridine-3-carboxylate
CID 166330114

Frequently Asked Questions

What is the IUPAC name of ethyl 5-[(2-methyl-5-nitrophenyl)sulfonylamino]pyrazolo[1,5-a]pyridine-3-carboxylate?
The IUPAC name of ethyl 5-[(2-methyl-5-nitrophenyl)sulfonylamino]pyrazolo[1,5-a]pyridine-3-carboxylate (CID 90556763) is ethyl 5-[(2-methyl-5-nitrophenyl)sulfonylamino]pyrazolo[1,5-a]pyridine-3-carboxylate.
What is the SMILES notation for ethyl 5-[(2-methyl-5-nitrophenyl)sulfonylamino]pyrazolo[1,5-a]pyridine-3-carboxylate?
The canonical SMILES for ethyl 5-[(2-methyl-5-nitrophenyl)sulfonylamino]pyrazolo[1,5-a]pyridine-3-carboxylate is CCOC(=O)c1cnn2ccc(NS(=O)(=O)c3cc([N+](=O)[O-])ccc3C)cc12.
What is the InChIKey of ethyl 5-[(2-methyl-5-nitrophenyl)sulfonylamino]pyrazolo[1,5-a]pyridine-3-carboxylate?
The InChIKey is CVWZAWYJJQFJCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O6S/c1-3-27-17(22)14-10-18-20-7-6-12(8-15(14)20)19-28(25,26)16-9-13(21(23)24)5-4-11(16)2/h4-10,19H,3H2,1-2H3.
What are the key properties of ethyl 5-[(2-methyl-5-nitrophenyl)sulfonylamino]pyrazolo[1,5-a]pyridine-3-carboxylate?
ethyl 5-[(2-methyl-5-nitrophenyl)sulfonylamino]pyrazolo[1,5-a]pyridine-3-carboxylate has a molecular weight of 404.40 g/mol, XLogP of 2.53, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-[(2-methyl-5-nitrophenyl)sulfonylamino]pyrazolo[1,5-a]pyridine-3-carboxylate is sourced from PubChem (CID 90556763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).