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

C17H14ClN3O3 — CID 71797786

IUPACethyl 5-[(2-chlorobenzoyl)amino]pyrazolo[1,5-a]pyridine-3-carboxylate
SMILESCCOC(=O)c1cnn2ccc(NC(=O)c3ccccc3Cl)cc12
InChIInChI=1S/C17H14ClN3O3/c1-2-24-17(23)13-10-19-21-8-7-11(9-15(13)21)20-16(22)12-5-3-4-6-14(12)18/h3-10H,2H2,1H3,(H,20,22)
InChIKeyLMEUGCXGVAHJNW-UHFFFAOYSA-N
MW343.77 g/mol
LogP3.42
Rot. Bonds4

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

ethyl 5-[(2-chlorobenzoyl)amino]pyrazolo[1,5-a]pyridine-3-carboxylate (PubChem CID 71797786) has the molecular formula C17H14ClN3O3 and a molecular weight of 343.77 g/mol. Its IUPAC name is ethyl 5-[(2-chlorobenzoyl)amino]pyrazolo[1,5-a]pyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 5-[(2-chlorobenzoyl)amino]pyrazolo[1,5-a]pyridine-3-carboxylate
PubChem CID71797786
Molecular FormulaC17H14ClN3O3
Molecular Weight343.77 g/mol
Exact Mass343.07
IUPAC Nameethyl 5-[(2-chlorobenzoyl)amino]pyrazolo[1,5-a]pyridine-3-carboxylate
SMILESCCOC(=O)c1cnn2ccc(NC(=O)c3ccccc3Cl)cc12
InChIInChI=1S/C17H14ClN3O3/c1-2-24-17(23)13-10-19-21-8-7-11(9-15(13)21)20-16(22)12-5-3-4-6-14(12)18/h3-10H,2H2,1H3,(H,20,22)
InChIKeyLMEUGCXGVAHJNW-UHFFFAOYSA-N
XLogP3.42
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.77
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 5-[(2-chlorobenzoyl)amino]pyrazolo[1,5-a]pyridine-3-carboxylate?
The IUPAC name of ethyl 5-[(2-chlorobenzoyl)amino]pyrazolo[1,5-a]pyridine-3-carboxylate (CID 71797786) is ethyl 5-[(2-chlorobenzoyl)amino]pyrazolo[1,5-a]pyridine-3-carboxylate.
What is the SMILES notation for ethyl 5-[(2-chlorobenzoyl)amino]pyrazolo[1,5-a]pyridine-3-carboxylate?
The canonical SMILES for ethyl 5-[(2-chlorobenzoyl)amino]pyrazolo[1,5-a]pyridine-3-carboxylate is CCOC(=O)c1cnn2ccc(NC(=O)c3ccccc3Cl)cc12.
What is the InChIKey of ethyl 5-[(2-chlorobenzoyl)amino]pyrazolo[1,5-a]pyridine-3-carboxylate?
The InChIKey is LMEUGCXGVAHJNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClN3O3/c1-2-24-17(23)13-10-19-21-8-7-11(9-15(13)21)20-16(22)12-5-3-4-6-14(12)18/h3-10H,2H2,1H3,(H,20,22).
What are the key properties of ethyl 5-[(2-chlorobenzoyl)amino]pyrazolo[1,5-a]pyridine-3-carboxylate?
ethyl 5-[(2-chlorobenzoyl)amino]pyrazolo[1,5-a]pyridine-3-carboxylate has a molecular weight of 343.77 g/mol, XLogP of 3.42, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-[(2-chlorobenzoyl)amino]pyrazolo[1,5-a]pyridine-3-carboxylate is sourced from PubChem (CID 71797786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).