ethyl 5-[(2,6-difluorobenzoyl)amino]pyrazolo[1,5-a]pyridine-3-carboxylate

C17H13F2N3O3 — CID 71797788

IUPACethyl 5-[(2,6-difluorobenzoyl)amino]pyrazolo[1,5-a]pyridine-3-carboxylate
SMILESCCOC(=O)c1cnn2ccc(NC(=O)c3c(F)cccc3F)cc12
InChIInChI=1S/C17H13F2N3O3/c1-2-25-17(24)11-9-20-22-7-6-10(8-14(11)22)21-16(23)15-12(18)4-3-5-13(15)19/h3-9H,2H2,1H3,(H,21,23)
InChIKeyXOKPVUVUKJVTOS-UHFFFAOYSA-N
MW345.31 g/mol
LogP3.04
Rot. Bonds4

About ethyl 5-[(2,6-difluorobenzoyl)amino]pyrazolo[1,5-a]pyridine-3-carboxylate

ethyl 5-[(2,6-difluorobenzoyl)amino]pyrazolo[1,5-a]pyridine-3-carboxylate (PubChem CID 71797788) has the molecular formula C17H13F2N3O3 and a molecular weight of 345.31 g/mol. Its IUPAC name is ethyl 5-[(2,6-difluorobenzoyl)amino]pyrazolo[1,5-a]pyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 5-[(2,6-difluorobenzoyl)amino]pyrazolo[1,5-a]pyridine-3-carboxylate
PubChem CID71797788
Molecular FormulaC17H13F2N3O3
Molecular Weight345.31 g/mol
Exact Mass345.09
IUPAC Nameethyl 5-[(2,6-difluorobenzoyl)amino]pyrazolo[1,5-a]pyridine-3-carboxylate
SMILESCCOC(=O)c1cnn2ccc(NC(=O)c3c(F)cccc3F)cc12
InChIInChI=1S/C17H13F2N3O3/c1-2-25-17(24)11-9-20-22-7-6-10(8-14(11)22)21-16(23)15-12(18)4-3-5-13(15)19/h3-9H,2H2,1H3,(H,21,23)
InChIKeyXOKPVUVUKJVTOS-UHFFFAOYSA-N
XLogP3.04
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.31
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 5-[(2,6-difluorobenzoyl)amino]pyrazolo[1,5-a]pyridine-3-carboxylate?
The IUPAC name of ethyl 5-[(2,6-difluorobenzoyl)amino]pyrazolo[1,5-a]pyridine-3-carboxylate (CID 71797788) is ethyl 5-[(2,6-difluorobenzoyl)amino]pyrazolo[1,5-a]pyridine-3-carboxylate.
What is the SMILES notation for ethyl 5-[(2,6-difluorobenzoyl)amino]pyrazolo[1,5-a]pyridine-3-carboxylate?
The canonical SMILES for ethyl 5-[(2,6-difluorobenzoyl)amino]pyrazolo[1,5-a]pyridine-3-carboxylate is CCOC(=O)c1cnn2ccc(NC(=O)c3c(F)cccc3F)cc12.
What is the InChIKey of ethyl 5-[(2,6-difluorobenzoyl)amino]pyrazolo[1,5-a]pyridine-3-carboxylate?
The InChIKey is XOKPVUVUKJVTOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13F2N3O3/c1-2-25-17(24)11-9-20-22-7-6-10(8-14(11)22)21-16(23)15-12(18)4-3-5-13(15)19/h3-9H,2H2,1H3,(H,21,23).
What are the key properties of ethyl 5-[(2,6-difluorobenzoyl)amino]pyrazolo[1,5-a]pyridine-3-carboxylate?
ethyl 5-[(2,6-difluorobenzoyl)amino]pyrazolo[1,5-a]pyridine-3-carboxylate has a molecular weight of 345.31 g/mol, XLogP of 3.04, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-[(2,6-difluorobenzoyl)amino]pyrazolo[1,5-a]pyridine-3-carboxylate is sourced from PubChem (CID 71797788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).