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

C18H16ClN3O3 — CID 71797808

IUPACethyl 5-[[2-(2-chlorophenyl)acetyl]amino]pyrazolo[1,5-a]pyridine-3-carboxylate
SMILESCCOC(=O)c1cnn2ccc(NC(=O)Cc3ccccc3Cl)cc12
InChIInChI=1S/C18H16ClN3O3/c1-2-25-18(24)14-11-20-22-8-7-13(10-16(14)22)21-17(23)9-12-5-3-4-6-15(12)19/h3-8,10-11H,2,9H2,1H3,(H,21,23)
InChIKeyBNXAMKASKDOCKY-UHFFFAOYSA-N
MW357.80 g/mol
LogP3.35
Rot. Bonds5

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

ethyl 5-[[2-(2-chlorophenyl)acetyl]amino]pyrazolo[1,5-a]pyridine-3-carboxylate (PubChem CID 71797808) has the molecular formula C18H16ClN3O3 and a molecular weight of 357.80 g/mol. Its IUPAC name is ethyl 5-[[2-(2-chlorophenyl)acetyl]amino]pyrazolo[1,5-a]pyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 5-[[2-(2-chlorophenyl)acetyl]amino]pyrazolo[1,5-a]pyridine-3-carboxylate
PubChem CID71797808
Molecular FormulaC18H16ClN3O3
Molecular Weight357.80 g/mol
Exact Mass357.09
IUPAC Nameethyl 5-[[2-(2-chlorophenyl)acetyl]amino]pyrazolo[1,5-a]pyridine-3-carboxylate
SMILESCCOC(=O)c1cnn2ccc(NC(=O)Cc3ccccc3Cl)cc12
InChIInChI=1S/C18H16ClN3O3/c1-2-25-18(24)14-11-20-22-8-7-13(10-16(14)22)21-17(23)9-12-5-3-4-6-15(12)19/h3-8,10-11H,2,9H2,1H3,(H,21,23)
InChIKeyBNXAMKASKDOCKY-UHFFFAOYSA-N
XLogP3.35
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.80
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 5-[(2-chlorobenzoyl)amino]pyrazolo[1,5-a]pyridine-3-carboxylate
CID 71797786
ethyl 5-[(2-chloroacetyl)amino]pyrazolo[1,5-a]pyridine-3-carboxylate
CID 90556540
ethyl 5-[(2-phenoxyacetyl)amino]pyrazolo[1,5-a]pyridine-3-carboxylate
CID 90556593
ethyl 5-(3,3-diphenylpropanoylamino)pyrazolo[1,5-a]pyridine-3-carboxylate
CID 90556619
ethyl 5-[[2-(4-ethoxyphenyl)acetyl]amino]pyrazolo[1,5-a]pyridine-3-carboxylate
CID 90556610
ethyl 5-[(2-methylbenzoyl)amino]pyrazolo[1,5-a]pyridine-3-carboxylate
CID 71797784
ethyl 5-[(2-bromobenzoyl)amino]pyrazolo[1,5-a]pyridine-3-carboxylate
CID 71797787
ethyl 5-[[2-(trifluoromethyl)phenyl]carbamoylamino]pyrazolo[1,5-a]pyridine-3-carboxylate
CID 90556717
ethyl 5-[[2-(4-fluorophenyl)sulfanylacetyl]amino]pyrazolo[1,5-a]pyridine-3-carboxylate
CID 90556650
ethyl 5-[(3-methoxyphenyl)carbamoylamino]pyrazolo[1,5-a]pyridine-3-carboxylate
CID 90556693
ethyl 5-(3-cyclohexylpropanoylamino)pyrazolo[1,5-a]pyridine-3-carboxylate
CID 90556537
ethyl 5-[[(E)-3-methylsulfanylprop-2-enoyl]amino]pyrazolo[1,5-a]pyridine-3-carboxylate
CID 166330114

Frequently Asked Questions

What is the IUPAC name of ethyl 5-[[2-(2-chlorophenyl)acetyl]amino]pyrazolo[1,5-a]pyridine-3-carboxylate?
The IUPAC name of ethyl 5-[[2-(2-chlorophenyl)acetyl]amino]pyrazolo[1,5-a]pyridine-3-carboxylate (CID 71797808) is ethyl 5-[[2-(2-chlorophenyl)acetyl]amino]pyrazolo[1,5-a]pyridine-3-carboxylate.
What is the SMILES notation for ethyl 5-[[2-(2-chlorophenyl)acetyl]amino]pyrazolo[1,5-a]pyridine-3-carboxylate?
The canonical SMILES for ethyl 5-[[2-(2-chlorophenyl)acetyl]amino]pyrazolo[1,5-a]pyridine-3-carboxylate is CCOC(=O)c1cnn2ccc(NC(=O)Cc3ccccc3Cl)cc12.
What is the InChIKey of ethyl 5-[[2-(2-chlorophenyl)acetyl]amino]pyrazolo[1,5-a]pyridine-3-carboxylate?
The InChIKey is BNXAMKASKDOCKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClN3O3/c1-2-25-18(24)14-11-20-22-8-7-13(10-16(14)22)21-17(23)9-12-5-3-4-6-15(12)19/h3-8,10-11H,2,9H2,1H3,(H,21,23).
What are the key properties of ethyl 5-[[2-(2-chlorophenyl)acetyl]amino]pyrazolo[1,5-a]pyridine-3-carboxylate?
ethyl 5-[[2-(2-chlorophenyl)acetyl]amino]pyrazolo[1,5-a]pyridine-3-carboxylate has a molecular weight of 357.80 g/mol, XLogP of 3.35, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-[[2-(2-chlorophenyl)acetyl]amino]pyrazolo[1,5-a]pyridine-3-carboxylate is sourced from PubChem (CID 71797808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).