3-[(E)-[methyl-(2-methyl-5-nitrophenyl)sulfonylhydrazinylidene]methyl]pyrazolo[1,5-a]pyridine-5-carboxamide

C17H16N6O5S — CID 25170000

IUPAC3-[(E)-[methyl-(2-methyl-5-nitrophenyl)sulfonylhydrazinylidene]methyl]pyrazolo[1,5-a]pyridine-5-carboxamide
SMILESCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N(C)/N=C/c1cnn2ccc(C(N)=O)cc12
InChIInChI=1S/C17H16N6O5S/c1-11-3-4-14(23(25)26)8-16(11)29(27,28)21(2)19-9-13-10-20-22-6-5-12(17(18)24)7-15(13)22/h3-10H,1-2H3,(H2,18,24)/b19-9+
InChIKeyIKKYNZZKVPZLTE-DJKKODMXSA-N
MW416.42 g/mol
LogP1.30
Rot. Bonds6

About 3-[(E)-[methyl-(2-methyl-5-nitrophenyl)sulfonylhydrazinylidene]methyl]pyrazolo[1,5-a]pyridine-5-carboxamide

3-[(E)-[methyl-(2-methyl-5-nitrophenyl)sulfonylhydrazinylidene]methyl]pyrazolo[1,5-a]pyridine-5-carboxamide (PubChem CID 25170000) has the molecular formula C17H16N6O5S and a molecular weight of 416.42 g/mol. Its IUPAC name is 3-[(E)-[methyl-(2-methyl-5-nitrophenyl)sulfonylhydrazinylidene]methyl]pyrazolo[1,5-a]pyridine-5-carboxamide.

Molecular Properties

Compound Name3-[(E)-[methyl-(2-methyl-5-nitrophenyl)sulfonylhydrazinylidene]methyl]pyrazolo[1,5-a]pyridine-5-carboxamide
PubChem CID25170000
Molecular FormulaC17H16N6O5S
Molecular Weight416.42 g/mol
Exact Mass416.09
IUPAC Name3-[(E)-[methyl-(2-methyl-5-nitrophenyl)sulfonylhydrazinylidene]methyl]pyrazolo[1,5-a]pyridine-5-carboxamide
SMILESCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N(C)/N=C/c1cnn2ccc(C(N)=O)cc12
InChIInChI=1S/C17H16N6O5S/c1-11-3-4-14(23(25)26)8-16(11)29(27,28)21(2)19-9-13-10-20-22-6-5-12(17(18)24)7-15(13)22/h3-10H,1-2H3,(H2,18,24)/b19-9+
InChIKeyIKKYNZZKVPZLTE-DJKKODMXSA-N
XLogP1.30
TPSA153.27 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.42
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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'}

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Frequently Asked Questions

What is the IUPAC name of 3-[(E)-[methyl-(2-methyl-5-nitrophenyl)sulfonylhydrazinylidene]methyl]pyrazolo[1,5-a]pyridine-5-carboxamide?
The IUPAC name of 3-[(E)-[methyl-(2-methyl-5-nitrophenyl)sulfonylhydrazinylidene]methyl]pyrazolo[1,5-a]pyridine-5-carboxamide (CID 25170000) is 3-[(E)-[methyl-(2-methyl-5-nitrophenyl)sulfonylhydrazinylidene]methyl]pyrazolo[1,5-a]pyridine-5-carboxamide.
What is the SMILES notation for 3-[(E)-[methyl-(2-methyl-5-nitrophenyl)sulfonylhydrazinylidene]methyl]pyrazolo[1,5-a]pyridine-5-carboxamide?
The canonical SMILES for 3-[(E)-[methyl-(2-methyl-5-nitrophenyl)sulfonylhydrazinylidene]methyl]pyrazolo[1,5-a]pyridine-5-carboxamide is Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N(C)/N=C/c1cnn2ccc(C(N)=O)cc12.
What is the InChIKey of 3-[(E)-[methyl-(2-methyl-5-nitrophenyl)sulfonylhydrazinylidene]methyl]pyrazolo[1,5-a]pyridine-5-carboxamide?
The InChIKey is IKKYNZZKVPZLTE-DJKKODMXSA-N. The full InChI is InChI=1S/C17H16N6O5S/c1-11-3-4-14(23(25)26)8-16(11)29(27,28)21(2)19-9-13-10-20-22-6-5-12(17(18)24)7-15(13)22/h3-10H,1-2H3,(H2,18,24)/b19-9+.
What are the key properties of 3-[(E)-[methyl-(2-methyl-5-nitrophenyl)sulfonylhydrazinylidene]methyl]pyrazolo[1,5-a]pyridine-5-carboxamide?
3-[(E)-[methyl-(2-methyl-5-nitrophenyl)sulfonylhydrazinylidene]methyl]pyrazolo[1,5-a]pyridine-5-carboxamide has a molecular weight of 416.42 g/mol, XLogP of 1.30, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(E)-[methyl-(2-methyl-5-nitrophenyl)sulfonylhydrazinylidene]methyl]pyrazolo[1,5-a]pyridine-5-carboxamide is sourced from PubChem (CID 25170000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).