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

C22H23N3O4 — CID 71797817

IUPACethyl 5-[(4-phenyloxane-4-carbonyl)amino]pyrazolo[1,5-a]pyridine-3-carboxylate
SMILESCCOC(=O)c1cnn2ccc(NC(=O)C3(c4ccccc4)CCOCC3)cc12
InChIInChI=1S/C22H23N3O4/c1-2-29-20(26)18-15-23-25-11-8-17(14-19(18)25)24-21(27)22(9-12-28-13-10-22)16-6-4-3-5-7-16/h3-8,11,14-15H,2,9-10,12-13H2,1H3,(H,24,27)
InChIKeyYYOCRKMPVOXOEZ-UHFFFAOYSA-N
MW393.44 g/mol
LogP3.20
Rot. Bonds5

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

ethyl 5-[(4-phenyloxane-4-carbonyl)amino]pyrazolo[1,5-a]pyridine-3-carboxylate (PubChem CID 71797817) has the molecular formula C22H23N3O4 and a molecular weight of 393.44 g/mol. Its IUPAC name is ethyl 5-[(4-phenyloxane-4-carbonyl)amino]pyrazolo[1,5-a]pyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 5-[(4-phenyloxane-4-carbonyl)amino]pyrazolo[1,5-a]pyridine-3-carboxylate
PubChem CID71797817
Molecular FormulaC22H23N3O4
Molecular Weight393.44 g/mol
Exact Mass393.17
IUPAC Nameethyl 5-[(4-phenyloxane-4-carbonyl)amino]pyrazolo[1,5-a]pyridine-3-carboxylate
SMILESCCOC(=O)c1cnn2ccc(NC(=O)C3(c4ccccc4)CCOCC3)cc12
InChIInChI=1S/C22H23N3O4/c1-2-29-20(26)18-15-23-25-11-8-17(14-19(18)25)24-21(27)22(9-12-28-13-10-22)16-6-4-3-5-7-16/h3-8,11,14-15H,2,9-10,12-13H2,1H3,(H,24,27)
InChIKeyYYOCRKMPVOXOEZ-UHFFFAOYSA-N
XLogP3.20
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.44
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 2-methoxy-5-[(4-phenyloxane-4-carbonyl)amino]benzoate
CID 100747803
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-chloroacetyl)amino]pyrazolo[1,5-a]pyridine-3-carboxylate
CID 90556540
ethyl 5-[(2-methylbenzoyl)amino]pyrazolo[1,5-a]pyridine-3-carboxylate
CID 71797784
ethyl 5-[(2-chlorobenzoyl)amino]pyrazolo[1,5-a]pyridine-3-carboxylate
CID 71797786
ethyl 2-butan-2-yloxy-5-[(4-phenyloxane-4-carbonyl)amino]benzoate
CID 133229622
ethyl 5-[[2-(2-chlorophenyl)acetyl]amino]pyrazolo[1,5-a]pyridine-3-carboxylate
CID 71797808
ethyl 5-[(2-bromobenzoyl)amino]pyrazolo[1,5-a]pyridine-3-carboxylate
CID 71797787
ethyl 5-[[2-(4-ethoxyphenyl)acetyl]amino]pyrazolo[1,5-a]pyridine-3-carboxylate
CID 90556610
ethyl 5-[(3-methoxyphenyl)carbamoylamino]pyrazolo[1,5-a]pyridine-3-carboxylate
CID 90556693
ethyl 5-(1,2-oxazole-5-carbonylamino)pyrazolo[1,5-a]pyridine-3-carboxylate
CID 90556491

Frequently Asked Questions

What is the IUPAC name of ethyl 5-[(4-phenyloxane-4-carbonyl)amino]pyrazolo[1,5-a]pyridine-3-carboxylate?
The IUPAC name of ethyl 5-[(4-phenyloxane-4-carbonyl)amino]pyrazolo[1,5-a]pyridine-3-carboxylate (CID 71797817) is ethyl 5-[(4-phenyloxane-4-carbonyl)amino]pyrazolo[1,5-a]pyridine-3-carboxylate.
What is the SMILES notation for ethyl 5-[(4-phenyloxane-4-carbonyl)amino]pyrazolo[1,5-a]pyridine-3-carboxylate?
The canonical SMILES for ethyl 5-[(4-phenyloxane-4-carbonyl)amino]pyrazolo[1,5-a]pyridine-3-carboxylate is CCOC(=O)c1cnn2ccc(NC(=O)C3(c4ccccc4)CCOCC3)cc12.
What is the InChIKey of ethyl 5-[(4-phenyloxane-4-carbonyl)amino]pyrazolo[1,5-a]pyridine-3-carboxylate?
The InChIKey is YYOCRKMPVOXOEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O4/c1-2-29-20(26)18-15-23-25-11-8-17(14-19(18)25)24-21(27)22(9-12-28-13-10-22)16-6-4-3-5-7-16/h3-8,11,14-15H,2,9-10,12-13H2,1H3,(H,24,27).
What are the key properties of ethyl 5-[(4-phenyloxane-4-carbonyl)amino]pyrazolo[1,5-a]pyridine-3-carboxylate?
ethyl 5-[(4-phenyloxane-4-carbonyl)amino]pyrazolo[1,5-a]pyridine-3-carboxylate has a molecular weight of 393.44 g/mol, XLogP of 3.20, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-[(4-phenyloxane-4-carbonyl)amino]pyrazolo[1,5-a]pyridine-3-carboxylate is sourced from PubChem (CID 71797817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).