2-[(4-ethoxyphenyl)methyl]-3-(pyrazolo[1,5-a]pyridine-3-carbonylamino)propanoic acid

C20H21N3O4 — CID 119231994

IUPAC2-[(4-ethoxyphenyl)methyl]-3-(pyrazolo[1,5-a]pyridine-3-carbonylamino)propanoic acid
SMILESCCOc1ccc(CC(CNC(=O)c2cnn3ccccc23)C(=O)O)cc1
InChIInChI=1S/C20H21N3O4/c1-2-27-16-8-6-14(7-9-16)11-15(20(25)26)12-21-19(24)17-13-22-23-10-4-3-5-18(17)23/h3-10,13,15H,2,11-12H2,1H3,(H,21,24)(H,25,26)
InChIKeyOMAFJUYVIVNPBU-UHFFFAOYSA-N
MW367.41 g/mol
LogP2.41
Rot. Bonds8

About 2-[(4-ethoxyphenyl)methyl]-3-(pyrazolo[1,5-a]pyridine-3-carbonylamino)propanoic acid

2-[(4-ethoxyphenyl)methyl]-3-(pyrazolo[1,5-a]pyridine-3-carbonylamino)propanoic acid (PubChem CID 119231994) has the molecular formula C20H21N3O4 and a molecular weight of 367.41 g/mol. Its IUPAC name is 2-[(4-ethoxyphenyl)methyl]-3-(pyrazolo[1,5-a]pyridine-3-carbonylamino)propanoic acid.

Molecular Properties

Compound Name2-[(4-ethoxyphenyl)methyl]-3-(pyrazolo[1,5-a]pyridine-3-carbonylamino)propanoic acid
PubChem CID119231994
Molecular FormulaC20H21N3O4
Molecular Weight367.41 g/mol
Exact Mass367.15
IUPAC Name2-[(4-ethoxyphenyl)methyl]-3-(pyrazolo[1,5-a]pyridine-3-carbonylamino)propanoic acid
SMILESCCOc1ccc(CC(CNC(=O)c2cnn3ccccc23)C(=O)O)cc1
InChIInChI=1S/C20H21N3O4/c1-2-27-16-8-6-14(7-9-16)11-15(20(25)26)12-21-19(24)17-13-22-23-10-4-3-5-18(17)23/h3-10,13,15H,2,11-12H2,1H3,(H,21,24)(H,25,26)
InChIKeyOMAFJUYVIVNPBU-UHFFFAOYSA-N
XLogP2.41
TPSA92.93 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.41
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(benzamidomethyl)-3-(4-ethoxyphenyl)propanoic acid
CID 119231910
2-[(4-ethoxyphenyl)methyl]-3-[(1-methylpyrazole-4-carbonyl)amino]propanoic acid
CID 119232040
2-[(4-ethoxyphenyl)methyl]-3-[(2-phenoxyacetyl)amino]propanoic acid
CID 119232217
(2S)-2-hydroxy-3-(pyrazolo[1,5-a]pyridine-3-carbonylamino)propanoic acid
CID 107833160
2-[(4-ethoxyphenyl)methyl]-3-[(1-propylpyrazole-4-carbonyl)amino]propanoic acid
CID 120524941
(4-ethoxyphenyl)-pyrazolo[1,5-a]pyridin-3-ylmethanone
CID 103124416
2-benzyl-3-[[2-(4-ethoxyphenoxy)acetyl]amino]propanoic acid
CID 119233936
2-[(4-ethoxyphenyl)methyl]-3-(furan-2-carbonylamino)propanoic acid
CID 119232251
2-[(4-ethoxyphenyl)methyl]-3-[(2-indol-1-ylacetyl)amino]propanoic acid
CID 119232177
2-[(4-ethoxyphenyl)methyl]-3-[[2-(trifluoromethyl)pyridine-3-carbonyl]amino]propanoic acid
CID 120524880
2-[[(3,5-dimethylfuran-2-carbonyl)amino]methyl]-3-(4-ethoxyphenyl)propanoic acid
CID 119232112
2-[(4-ethoxyphenyl)methyl]-3-[(5-ethyl-1,3-oxazole-4-carbonyl)amino]propanoic acid
CID 119232157

Frequently Asked Questions

What is the IUPAC name of 2-[(4-ethoxyphenyl)methyl]-3-(pyrazolo[1,5-a]pyridine-3-carbonylamino)propanoic acid?
The IUPAC name of 2-[(4-ethoxyphenyl)methyl]-3-(pyrazolo[1,5-a]pyridine-3-carbonylamino)propanoic acid (CID 119231994) is 2-[(4-ethoxyphenyl)methyl]-3-(pyrazolo[1,5-a]pyridine-3-carbonylamino)propanoic acid.
What is the SMILES notation for 2-[(4-ethoxyphenyl)methyl]-3-(pyrazolo[1,5-a]pyridine-3-carbonylamino)propanoic acid?
The canonical SMILES for 2-[(4-ethoxyphenyl)methyl]-3-(pyrazolo[1,5-a]pyridine-3-carbonylamino)propanoic acid is CCOc1ccc(CC(CNC(=O)c2cnn3ccccc23)C(=O)O)cc1.
What is the InChIKey of 2-[(4-ethoxyphenyl)methyl]-3-(pyrazolo[1,5-a]pyridine-3-carbonylamino)propanoic acid?
The InChIKey is OMAFJUYVIVNPBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O4/c1-2-27-16-8-6-14(7-9-16)11-15(20(25)26)12-21-19(24)17-13-22-23-10-4-3-5-18(17)23/h3-10,13,15H,2,11-12H2,1H3,(H,21,24)(H,25,26).
What are the key properties of 2-[(4-ethoxyphenyl)methyl]-3-(pyrazolo[1,5-a]pyridine-3-carbonylamino)propanoic acid?
2-[(4-ethoxyphenyl)methyl]-3-(pyrazolo[1,5-a]pyridine-3-carbonylamino)propanoic acid has a molecular weight of 367.41 g/mol, XLogP of 2.41, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-ethoxyphenyl)methyl]-3-(pyrazolo[1,5-a]pyridine-3-carbonylamino)propanoic acid is sourced from PubChem (CID 119231994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).