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

C18H17N5O6S — CID 68500647

IUPACmethyl 3-[[methyl-(2-methyl-5-nitrophenyl)sulfonylhydrazinylidene]methyl]pyrazolo[1,5-a]pyridine-5-carboxylate
SMILESCOC(=O)c1ccn2ncc(C=NN(C)S(=O)(=O)c3cc([N+](=O)[O-])ccc3C)c2c1
InChIInChI=1S/C18H17N5O6S/c1-12-4-5-15(23(25)26)9-17(12)30(27,28)21(2)19-10-14-11-20-22-7-6-13(8-16(14)22)18(24)29-3/h4-11H,1-3H3
InChIKeyKEAZFPHCLNIKKV-UHFFFAOYSA-N
MW431.43 g/mol
LogP1.99
Rot. Bonds6

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

methyl 3-[[methyl-(2-methyl-5-nitrophenyl)sulfonylhydrazinylidene]methyl]pyrazolo[1,5-a]pyridine-5-carboxylate (PubChem CID 68500647) has the molecular formula C18H17N5O6S and a molecular weight of 431.43 g/mol. Its IUPAC name is methyl 3-[[methyl-(2-methyl-5-nitrophenyl)sulfonylhydrazinylidene]methyl]pyrazolo[1,5-a]pyridine-5-carboxylate.

Molecular Properties

Compound Namemethyl 3-[[methyl-(2-methyl-5-nitrophenyl)sulfonylhydrazinylidene]methyl]pyrazolo[1,5-a]pyridine-5-carboxylate
PubChem CID68500647
Molecular FormulaC18H17N5O6S
Molecular Weight431.43 g/mol
Exact Mass431.09
IUPAC Namemethyl 3-[[methyl-(2-methyl-5-nitrophenyl)sulfonylhydrazinylidene]methyl]pyrazolo[1,5-a]pyridine-5-carboxylate
SMILESCOC(=O)c1ccn2ncc(C=NN(C)S(=O)(=O)c3cc([N+](=O)[O-])ccc3C)c2c1
InChIInChI=1S/C18H17N5O6S/c1-12-4-5-15(23(25)26)9-17(12)30(27,28)21(2)19-10-14-11-20-22-7-6-13(8-16(14)22)18(24)29-3/h4-11H,1-3H3
InChIKeyKEAZFPHCLNIKKV-UHFFFAOYSA-N
XLogP1.99
TPSA136.48 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.43
LogP ≤ 51.99
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'}

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Related Compounds

methyl 3-[(E)-[methyl-(2-methyl-5-nitrophenyl)sulfonylhydrazinylidene]methyl]pyrazolo[1,5-a]pyridine-5-carboxylate
CID 25169786
3-[(E)-[methyl-(2-methyl-5-nitrophenyl)sulfonylhydrazinylidene]methyl]pyrazolo[1,5-a]pyridine-5-carboxamide
CID 25170000
methyl 3-[[(E)-(5-cyanopyrazolo[1,5-a]pyridin-3-yl)methylideneamino]-methylsulfamoyl]-4-methylbenzoate
CID 25172274
N-methyl-3-[(E)-[methyl-(2-methyl-5-nitrophenyl)sulfonylhydrazinylidene]methyl]pyrazolo[1,5-a]pyridine-5-carboxamide
CID 57390135
N,N-dimethyl-3-[(E)-[methyl-(2-methyl-5-nitrophenyl)sulfonylhydrazinylidene]methyl]pyrazolo[1,5-a]pyridine-5-carboxamide
CID 57395364
methyl 4-(N-(pyrazolo[1,5-a]pyridin-3-ylmethyl)sulfamoyl)benzoate
CID 71790799
methyl 4-(N-(pyrazolo[1,5-a]pyridin-5-yl)sulfamoyl)benzoate
CID 86266897
Ethyl 2-[3-nitro-1-(phenylsulfonyl)-1H-indol-5-yl]-4-pyridinecarboxylate
CID 67107399
3-((2-Methyl-2-(2-methyl-5-nitrophenylsulfonyl)hydrazono)methyl)-pyrazolo[1,5-a]pyridine-5-carboxamide
CID 68499072
Methyl 3-[[(5-cyanopyrazolo[1,5-a]pyridin-3-yl)methylideneamino]-methylsulfamoyl]-4-methylbenzoate
CID 68502208
2-[3-[[Methyl-(2-methyl-5-nitrophenyl)sulfonylhydrazinylidene]methyl]pyrazolo[1,5-a]pyridin-5-yl]acetic acid
CID 68504376
2-[3-[(E)-[methyl-(2-methyl-5-nitrophenyl)sulfonylhydrazinylidene]methyl]pyrazolo[1,5-a]pyridin-5-yl]acetic acid
CID 87477603

Frequently Asked Questions

What is the IUPAC name of methyl 3-[[methyl-(2-methyl-5-nitrophenyl)sulfonylhydrazinylidene]methyl]pyrazolo[1,5-a]pyridine-5-carboxylate?
The IUPAC name of methyl 3-[[methyl-(2-methyl-5-nitrophenyl)sulfonylhydrazinylidene]methyl]pyrazolo[1,5-a]pyridine-5-carboxylate (CID 68500647) is methyl 3-[[methyl-(2-methyl-5-nitrophenyl)sulfonylhydrazinylidene]methyl]pyrazolo[1,5-a]pyridine-5-carboxylate.
What is the SMILES notation for methyl 3-[[methyl-(2-methyl-5-nitrophenyl)sulfonylhydrazinylidene]methyl]pyrazolo[1,5-a]pyridine-5-carboxylate?
The canonical SMILES for methyl 3-[[methyl-(2-methyl-5-nitrophenyl)sulfonylhydrazinylidene]methyl]pyrazolo[1,5-a]pyridine-5-carboxylate is COC(=O)c1ccn2ncc(C=NN(C)S(=O)(=O)c3cc([N+](=O)[O-])ccc3C)c2c1.
What is the InChIKey of methyl 3-[[methyl-(2-methyl-5-nitrophenyl)sulfonylhydrazinylidene]methyl]pyrazolo[1,5-a]pyridine-5-carboxylate?
The InChIKey is KEAZFPHCLNIKKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N5O6S/c1-12-4-5-15(23(25)26)9-17(12)30(27,28)21(2)19-10-14-11-20-22-7-6-13(8-16(14)22)18(24)29-3/h4-11H,1-3H3.
What are the key properties of methyl 3-[[methyl-(2-methyl-5-nitrophenyl)sulfonylhydrazinylidene]methyl]pyrazolo[1,5-a]pyridine-5-carboxylate?
methyl 3-[[methyl-(2-methyl-5-nitrophenyl)sulfonylhydrazinylidene]methyl]pyrazolo[1,5-a]pyridine-5-carboxylate has a molecular weight of 431.43 g/mol, XLogP of 1.99, 6 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[[methyl-(2-methyl-5-nitrophenyl)sulfonylhydrazinylidene]methyl]pyrazolo[1,5-a]pyridine-5-carboxylate is sourced from PubChem (CID 68500647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).