ethyl 5-[(4-methylthiophene-2-carbonyl)amino]pyrazolo[1,5-a]pyridine-3-carboxylate

C16H15N3O3S — CID 71797819

IUPACethyl 5-[(4-methylthiophene-2-carbonyl)amino]pyrazolo[1,5-a]pyridine-3-carboxylate
SMILESCCOC(=O)c1cnn2ccc(NC(=O)c3cc(C)cs3)cc12
InChIInChI=1S/C16H15N3O3S/c1-3-22-16(21)12-8-17-19-5-4-11(7-13(12)19)18-15(20)14-6-10(2)9-23-14/h4-9H,3H2,1-2H3,(H,18,20)
InChIKeyRNWKZIWNLSWCIM-UHFFFAOYSA-N
MW329.38 g/mol
LogP3.13
Rot. Bonds4

About ethyl 5-[(4-methylthiophene-2-carbonyl)amino]pyrazolo[1,5-a]pyridine-3-carboxylate

ethyl 5-[(4-methylthiophene-2-carbonyl)amino]pyrazolo[1,5-a]pyridine-3-carboxylate (PubChem CID 71797819) has the molecular formula C16H15N3O3S and a molecular weight of 329.38 g/mol. Its IUPAC name is ethyl 5-[(4-methylthiophene-2-carbonyl)amino]pyrazolo[1,5-a]pyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 5-[(4-methylthiophene-2-carbonyl)amino]pyrazolo[1,5-a]pyridine-3-carboxylate
PubChem CID71797819
Molecular FormulaC16H15N3O3S
Molecular Weight329.38 g/mol
Exact Mass329.08
IUPAC Nameethyl 5-[(4-methylthiophene-2-carbonyl)amino]pyrazolo[1,5-a]pyridine-3-carboxylate
SMILESCCOC(=O)c1cnn2ccc(NC(=O)c3cc(C)cs3)cc12
InChIInChI=1S/C16H15N3O3S/c1-3-22-16(21)12-8-17-19-5-4-11(7-13(12)19)18-15(20)14-6-10(2)9-23-14/h4-9H,3H2,1-2H3,(H,18,20)
InChIKeyRNWKZIWNLSWCIM-UHFFFAOYSA-N
XLogP3.13
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.38
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 5-[(4-methylthiophene-2-carbonyl)amino]pyrazolo[1,5-a]pyridine-3-carboxylate?
The IUPAC name of ethyl 5-[(4-methylthiophene-2-carbonyl)amino]pyrazolo[1,5-a]pyridine-3-carboxylate (CID 71797819) is ethyl 5-[(4-methylthiophene-2-carbonyl)amino]pyrazolo[1,5-a]pyridine-3-carboxylate.
What is the SMILES notation for ethyl 5-[(4-methylthiophene-2-carbonyl)amino]pyrazolo[1,5-a]pyridine-3-carboxylate?
The canonical SMILES for ethyl 5-[(4-methylthiophene-2-carbonyl)amino]pyrazolo[1,5-a]pyridine-3-carboxylate is CCOC(=O)c1cnn2ccc(NC(=O)c3cc(C)cs3)cc12.
What is the InChIKey of ethyl 5-[(4-methylthiophene-2-carbonyl)amino]pyrazolo[1,5-a]pyridine-3-carboxylate?
The InChIKey is RNWKZIWNLSWCIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O3S/c1-3-22-16(21)12-8-17-19-5-4-11(7-13(12)19)18-15(20)14-6-10(2)9-23-14/h4-9H,3H2,1-2H3,(H,18,20).
What are the key properties of ethyl 5-[(4-methylthiophene-2-carbonyl)amino]pyrazolo[1,5-a]pyridine-3-carboxylate?
ethyl 5-[(4-methylthiophene-2-carbonyl)amino]pyrazolo[1,5-a]pyridine-3-carboxylate has a molecular weight of 329.38 g/mol, XLogP of 3.13, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-[(4-methylthiophene-2-carbonyl)amino]pyrazolo[1,5-a]pyridine-3-carboxylate is sourced from PubChem (CID 71797819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).