ethyl 4-oxo-4-(pyrazolo[1,5-a]pyridin-5-ylamino)butanoate

C13H15N3O3 — CID 86266819

IUPACethyl 4-oxo-4-(pyrazolo[1,5-a]pyridin-5-ylamino)butanoate
SMILESCCOC(=O)CCC(=O)Nc1ccn2nccc2c1
InChIInChI=1S/C13H15N3O3/c1-2-19-13(18)4-3-12(17)15-10-6-8-16-11(9-10)5-7-14-16/h5-9H,2-4H2,1H3,(H,15,17)
InChIKeyRAQLUZOINSCVEK-UHFFFAOYSA-N
MW261.28 g/mol
LogP1.62
Rot. Bonds5

About ethyl 4-oxo-4-(pyrazolo[1,5-a]pyridin-5-ylamino)butanoate

ethyl 4-oxo-4-(pyrazolo[1,5-a]pyridin-5-ylamino)butanoate (PubChem CID 86266819) has the molecular formula C13H15N3O3 and a molecular weight of 261.28 g/mol. Its IUPAC name is ethyl 4-oxo-4-(pyrazolo[1,5-a]pyridin-5-ylamino)butanoate.

Molecular Properties

Compound Nameethyl 4-oxo-4-(pyrazolo[1,5-a]pyridin-5-ylamino)butanoate
PubChem CID86266819
Molecular FormulaC13H15N3O3
Molecular Weight261.28 g/mol
Exact Mass261.11
IUPAC Nameethyl 4-oxo-4-(pyrazolo[1,5-a]pyridin-5-ylamino)butanoate
SMILESCCOC(=O)CCC(=O)Nc1ccn2nccc2c1
InChIInChI=1S/C13H15N3O3/c1-2-19-13(18)4-3-12(17)15-10-6-8-16-11(9-10)5-7-14-16/h5-9H,2-4H2,1H3,(H,15,17)
InChIKeyRAQLUZOINSCVEK-UHFFFAOYSA-N
XLogP1.62
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.28
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-phenyl-N-pyrazolo[1,5-a]pyridin-5-ylpropanamide
CID 86266842
ethyl 4-[3-(dimethylamino)anilino]-4-oxobutanoate
CID 78910863
4-butoxy-N-pyrazolo[1,5-a]pyridin-5-ylbenzamide
CID 86266822
ethyl 4-(3-iodo-4-methylanilino)-4-oxobutanoate
CID 9088231
ethyl 4-oxo-4-(3-pyrrolidin-1-ylanilino)butanoate
CID 61062260
ethyl 4-(4-ethylanilino)-4-oxobutanoate
CID 60636835
ethyl 4-[3-(butylcarbamoyl)anilino]-4-oxobutanoate
CID 17196916
ethyl 4-(4-methylsulfanylanilino)-4-oxobutanoate
CID 9179743
ethyl 4-[4-(3-methylbutanoylamino)anilino]-4-oxobutanoate
CID 17193984
N-pyrazolo[1,5-a]pyridin-5-ylcyclopentanecarboxamide
CID 86266818
methyl 5-[(4-ethoxy-4-oxobutanoyl)amino]-2-fluorobenzoate
CID 34505734
ethyl 4-(4-ethylsulfonylanilino)-4-oxobutanoate
CID 30179824

Frequently Asked Questions

What is the IUPAC name of ethyl 4-oxo-4-(pyrazolo[1,5-a]pyridin-5-ylamino)butanoate?
The IUPAC name of ethyl 4-oxo-4-(pyrazolo[1,5-a]pyridin-5-ylamino)butanoate (CID 86266819) is ethyl 4-oxo-4-(pyrazolo[1,5-a]pyridin-5-ylamino)butanoate.
What is the SMILES notation for ethyl 4-oxo-4-(pyrazolo[1,5-a]pyridin-5-ylamino)butanoate?
The canonical SMILES for ethyl 4-oxo-4-(pyrazolo[1,5-a]pyridin-5-ylamino)butanoate is CCOC(=O)CCC(=O)Nc1ccn2nccc2c1.
What is the InChIKey of ethyl 4-oxo-4-(pyrazolo[1,5-a]pyridin-5-ylamino)butanoate?
The InChIKey is RAQLUZOINSCVEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O3/c1-2-19-13(18)4-3-12(17)15-10-6-8-16-11(9-10)5-7-14-16/h5-9H,2-4H2,1H3,(H,15,17).
What are the key properties of ethyl 4-oxo-4-(pyrazolo[1,5-a]pyridin-5-ylamino)butanoate?
ethyl 4-oxo-4-(pyrazolo[1,5-a]pyridin-5-ylamino)butanoate has a molecular weight of 261.28 g/mol, XLogP of 1.62, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-oxo-4-(pyrazolo[1,5-a]pyridin-5-ylamino)butanoate is sourced from PubChem (CID 86266819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).