2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)ethyl 3-hydroxy-3-(4-phenylmethoxyphenyl)propanoate

C24H23N3O5 — CID 166206681

IUPAC2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)ethyl 3-hydroxy-3-(4-phenylmethoxyphenyl)propanoate
SMILESO=C(CC(O)c1ccc(OCc2ccccc2)cc1)OCCn1nc2ccccn2c1=O
InChIInChI=1S/C24H23N3O5/c28-21(19-9-11-20(12-10-19)32-17-18-6-2-1-3-7-18)16-23(29)31-15-14-27-24(30)26-13-5-4-8-22(26)25-27/h1-13,21,28H,14-17H2
InChIKeyVSOQAWCRRGNHMZ-UHFFFAOYSA-N
MW433.46 g/mol
LogP2.74
Rot. Bonds9

About 2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)ethyl 3-hydroxy-3-(4-phenylmethoxyphenyl)propanoate

2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)ethyl 3-hydroxy-3-(4-phenylmethoxyphenyl)propanoate (PubChem CID 166206681) has the molecular formula C24H23N3O5 and a molecular weight of 433.46 g/mol. Its IUPAC name is 2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)ethyl 3-hydroxy-3-(4-phenylmethoxyphenyl)propanoate.

Molecular Properties

Compound Name2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)ethyl 3-hydroxy-3-(4-phenylmethoxyphenyl)propanoate
PubChem CID166206681
Molecular FormulaC24H23N3O5
Molecular Weight433.46 g/mol
Exact Mass433.16
IUPAC Name2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)ethyl 3-hydroxy-3-(4-phenylmethoxyphenyl)propanoate
SMILESO=C(CC(O)c1ccc(OCc2ccccc2)cc1)OCCn1nc2ccccn2c1=O
InChIInChI=1S/C24H23N3O5/c28-21(19-9-11-20(12-10-19)32-17-18-6-2-1-3-7-18)16-23(29)31-15-14-27-24(30)26-13-5-4-8-22(26)25-27/h1-13,21,28H,14-17H2
InChIKeyVSOQAWCRRGNHMZ-UHFFFAOYSA-N
XLogP2.74
TPSA95.06 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.46
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

3-hydroxy-3-(4-phenylmethoxyphenyl)propanamide
CID 110024303
4-hydroxy-2-oxo-4-(4-phenylmethoxyphenyl)butanoic acid
CID 46843455
benzyl 3-hydroxy-3-phenylpropanoate
CID 15466820
methyl 4-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)butanoate
CID 43378341
(1R)-1-(4-phenylmethoxyphenyl)ethane-1,2-diol
CID 71416199
2-(6-chlorohexyl)-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 62229478
2-methoxy-1-(4-phenylmethoxyphenyl)ethanol
CID 13050554
N,4-dihydroxy-N-methyl-2-oxo-4-(4-phenylmethoxyphenyl)butanamide
CID 174676377
3-hydroxy-3-(4-phenylmethoxyphenyl)propanal
CID 114795255
2-[[2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)acetyl]amino]-2-phenylacetamide
CID 56807759
5-[2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)ethylsulfanyl]furan-2-carboxylic acid
CID 63943173
N-(2-aminoethyl)-3-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)-N-(2-phenylethyl)propanamide
CID 120884670

Frequently Asked Questions

What is the IUPAC name of 2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)ethyl 3-hydroxy-3-(4-phenylmethoxyphenyl)propanoate?
The IUPAC name of 2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)ethyl 3-hydroxy-3-(4-phenylmethoxyphenyl)propanoate (CID 166206681) is 2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)ethyl 3-hydroxy-3-(4-phenylmethoxyphenyl)propanoate.
What is the SMILES notation for 2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)ethyl 3-hydroxy-3-(4-phenylmethoxyphenyl)propanoate?
The canonical SMILES for 2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)ethyl 3-hydroxy-3-(4-phenylmethoxyphenyl)propanoate is O=C(CC(O)c1ccc(OCc2ccccc2)cc1)OCCn1nc2ccccn2c1=O.
What is the InChIKey of 2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)ethyl 3-hydroxy-3-(4-phenylmethoxyphenyl)propanoate?
The InChIKey is VSOQAWCRRGNHMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N3O5/c28-21(19-9-11-20(12-10-19)32-17-18-6-2-1-3-7-18)16-23(29)31-15-14-27-24(30)26-13-5-4-8-22(26)25-27/h1-13,21,28H,14-17H2.
What are the key properties of 2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)ethyl 3-hydroxy-3-(4-phenylmethoxyphenyl)propanoate?
2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)ethyl 3-hydroxy-3-(4-phenylmethoxyphenyl)propanoate has a molecular weight of 433.46 g/mol, XLogP of 2.74, 9 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)ethyl 3-hydroxy-3-(4-phenylmethoxyphenyl)propanoate is sourced from PubChem (CID 166206681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).