ethyl 5-[(3,4-dimethylphenyl)sulfonylamino]pyrazolo[1,5-a]pyridine-3-carboxylate

C18H19N3O4S — CID 90556752

IUPACethyl 5-[(3,4-dimethylphenyl)sulfonylamino]pyrazolo[1,5-a]pyridine-3-carboxylate
SMILESCCOC(=O)c1cnn2ccc(NS(=O)(=O)c3ccc(C)c(C)c3)cc12
InChIInChI=1S/C18H19N3O4S/c1-4-25-18(22)16-11-19-21-8-7-14(10-17(16)21)20-26(23,24)15-6-5-12(2)13(3)9-15/h5-11,20H,4H2,1-3H3
InChIKeyOTXIPOUPAVYNNH-UHFFFAOYSA-N
MW373.43 g/mol
LogP2.93
Rot. Bonds5

About ethyl 5-[(3,4-dimethylphenyl)sulfonylamino]pyrazolo[1,5-a]pyridine-3-carboxylate

ethyl 5-[(3,4-dimethylphenyl)sulfonylamino]pyrazolo[1,5-a]pyridine-3-carboxylate (PubChem CID 90556752) has the molecular formula C18H19N3O4S and a molecular weight of 373.43 g/mol. Its IUPAC name is ethyl 5-[(3,4-dimethylphenyl)sulfonylamino]pyrazolo[1,5-a]pyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 5-[(3,4-dimethylphenyl)sulfonylamino]pyrazolo[1,5-a]pyridine-3-carboxylate
PubChem CID90556752
Molecular FormulaC18H19N3O4S
Molecular Weight373.43 g/mol
Exact Mass373.11
IUPAC Nameethyl 5-[(3,4-dimethylphenyl)sulfonylamino]pyrazolo[1,5-a]pyridine-3-carboxylate
SMILESCCOC(=O)c1cnn2ccc(NS(=O)(=O)c3ccc(C)c(C)c3)cc12
InChIInChI=1S/C18H19N3O4S/c1-4-25-18(22)16-11-19-21-8-7-14(10-17(16)21)20-26(23,24)15-6-5-12(2)13(3)9-15/h5-11,20H,4H2,1-3H3
InChIKeyOTXIPOUPAVYNNH-UHFFFAOYSA-N
XLogP2.93
TPSA89.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.43
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 5-[(3,5-difluorophenyl)sulfonylamino]pyrazolo[1,5-a]pyridine-3-carboxylate
CID 90556795
ethyl 5-[(2-methyl-5-nitrophenyl)sulfonylamino]pyrazolo[1,5-a]pyridine-3-carboxylate
CID 90556763
ethyl 5-[(2-chloroacetyl)amino]pyrazolo[1,5-a]pyridine-3-carboxylate
CID 90556540
ethyl 5-[(2-methylbenzoyl)amino]pyrazolo[1,5-a]pyridine-3-carboxylate
CID 71797784
ethyl 5-(1,2-oxazole-5-carbonylamino)pyrazolo[1,5-a]pyridine-3-carboxylate
CID 90556491
ethyl 5-[(2-chlorobenzoyl)amino]pyrazolo[1,5-a]pyridine-3-carboxylate
CID 71797786
ethyl 5-[[(E)-3-methylsulfanylprop-2-enoyl]amino]pyrazolo[1,5-a]pyridine-3-carboxylate
CID 166330114
ethyl 5-[(4-fluorobenzoyl)amino]pyrazolo[1,5-a]pyridine-3-carboxylate
CID 90556567
ethyl 5-[(2-phenoxyacetyl)amino]pyrazolo[1,5-a]pyridine-3-carboxylate
CID 90556593
ethyl 5-[(3-methoxyphenyl)carbamoylamino]pyrazolo[1,5-a]pyridine-3-carboxylate
CID 90556693
ethyl 5-[[4-(trifluoromethyl)benzoyl]amino]pyrazolo[1,5-a]pyridine-3-carboxylate
CID 90556586
ethyl 5-[[2-(4-ethoxyphenyl)acetyl]amino]pyrazolo[1,5-a]pyridine-3-carboxylate
CID 90556610

Frequently Asked Questions

What is the IUPAC name of ethyl 5-[(3,4-dimethylphenyl)sulfonylamino]pyrazolo[1,5-a]pyridine-3-carboxylate?
The IUPAC name of ethyl 5-[(3,4-dimethylphenyl)sulfonylamino]pyrazolo[1,5-a]pyridine-3-carboxylate (CID 90556752) is ethyl 5-[(3,4-dimethylphenyl)sulfonylamino]pyrazolo[1,5-a]pyridine-3-carboxylate.
What is the SMILES notation for ethyl 5-[(3,4-dimethylphenyl)sulfonylamino]pyrazolo[1,5-a]pyridine-3-carboxylate?
The canonical SMILES for ethyl 5-[(3,4-dimethylphenyl)sulfonylamino]pyrazolo[1,5-a]pyridine-3-carboxylate is CCOC(=O)c1cnn2ccc(NS(=O)(=O)c3ccc(C)c(C)c3)cc12.
What is the InChIKey of ethyl 5-[(3,4-dimethylphenyl)sulfonylamino]pyrazolo[1,5-a]pyridine-3-carboxylate?
The InChIKey is OTXIPOUPAVYNNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O4S/c1-4-25-18(22)16-11-19-21-8-7-14(10-17(16)21)20-26(23,24)15-6-5-12(2)13(3)9-15/h5-11,20H,4H2,1-3H3.
What are the key properties of ethyl 5-[(3,4-dimethylphenyl)sulfonylamino]pyrazolo[1,5-a]pyridine-3-carboxylate?
ethyl 5-[(3,4-dimethylphenyl)sulfonylamino]pyrazolo[1,5-a]pyridine-3-carboxylate has a molecular weight of 373.43 g/mol, XLogP of 2.93, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-[(3,4-dimethylphenyl)sulfonylamino]pyrazolo[1,5-a]pyridine-3-carboxylate is sourced from PubChem (CID 90556752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).