ethyl 3-[4-[4-(4-amino-3-fluorophenoxy)-2-pyridinyl]thiophen-2-yl]propanoate

C20H19FN2O3S — CID 144842234

IUPACethyl 3-[4-[4-(4-amino-3-fluorophenoxy)-2-pyridinyl]thiophen-2-yl]propanoate
SMILESCCOC(=O)CCc1cc(-c2cc(Oc3ccc(N)c(F)c3)ccn2)cs1
InChIInChI=1S/C20H19FN2O3S/c1-2-25-20(24)6-4-16-9-13(12-27-16)19-11-15(7-8-23-19)26-14-3-5-18(22)17(21)10-14/h3,5,7-12H,2,4,6,22H2,1H3
InChIKeyYDAUQLJJOCGKST-UHFFFAOYSA-N
MW386.45 g/mol
LogP4.82
Rot. Bonds7

About ethyl 3-[4-[4-(4-amino-3-fluorophenoxy)-2-pyridinyl]thiophen-2-yl]propanoate

ethyl 3-[4-[4-(4-amino-3-fluorophenoxy)-2-pyridinyl]thiophen-2-yl]propanoate (PubChem CID 144842234) has the molecular formula C20H19FN2O3S and a molecular weight of 386.45 g/mol. Its IUPAC name is ethyl 3-[4-[4-(4-amino-3-fluorophenoxy)-2-pyridinyl]thiophen-2-yl]propanoate.

Molecular Properties

Compound Nameethyl 3-[4-[4-(4-amino-3-fluorophenoxy)-2-pyridinyl]thiophen-2-yl]propanoate
PubChem CID144842234
Molecular FormulaC20H19FN2O3S
Molecular Weight386.45 g/mol
Exact Mass386.11
IUPAC Nameethyl 3-[4-[4-(4-amino-3-fluorophenoxy)-2-pyridinyl]thiophen-2-yl]propanoate
SMILESCCOC(=O)CCc1cc(-c2cc(Oc3ccc(N)c(F)c3)ccn2)cs1
InChIInChI=1S/C20H19FN2O3S/c1-2-25-20(24)6-4-16-9-13(12-27-16)19-11-15(7-8-23-19)26-14-3-5-18(22)17(21)10-14/h3,5,7-12H,2,4,6,22H2,1H3
InChIKeyYDAUQLJJOCGKST-UHFFFAOYSA-N
XLogP4.82
TPSA74.44 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.45
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

methyl 4-(4-amino-3-fluorophenoxy)pyridine-2-carboxylate
CID 23153051
2-fluoro-4-[[2-(1,3-oxazol-5-yl)-4-pyridinyl]oxy]aniline
CID 59825584
4-(4-amino-3-fluorophenoxy)-N-(1,1-dihydroxyethyl)pyridine-2-carboxamide
CID 91282385
[4-[4-(4-amino-3-fluorophenoxy)-2-pyridinyl]triazol-1-yl]methyl 2,2-dimethylpropanoate
CID 67399290
2-[4-(4-amino-3-fluorophenoxy)pyrimidin-2-yl]-2-oxoacetamide
CID 141110312
ethyl 2-(4-amino-3-fluorophenoxy)-4-methylpyrimidine-5-carboxylate
CID 83180062
4-[(6-ethoxy-2-pyridinyl)oxy]-2-fluoroaniline
CID 63590604
ethyl 3-[4-[4-(methylamino)-2-pyridinyl]phenyl]propanoate
CID 66591311
ethyl N-[4-(4-amino-3-methylsulfanylphenoxy)-2-pyridinyl]carbamate;hydrochloride
CID 155586262
ethyl 5-(3-fluoro-4-methylphenoxy)-4-oxopentanoate
CID 107169765
4-[4-[4-(3-methylbutanoylamino)phenoxy]-2-pyridinyl]thiophene-2-carboxamide
CID 123996029
2-fluoro-4-[[4-(2-methoxypyrimidin-5-yl)-1,3-thiazol-2-yl]oxy]aniline
CID 157047054

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[4-[4-(4-amino-3-fluorophenoxy)-2-pyridinyl]thiophen-2-yl]propanoate?
The IUPAC name of ethyl 3-[4-[4-(4-amino-3-fluorophenoxy)-2-pyridinyl]thiophen-2-yl]propanoate (CID 144842234) is ethyl 3-[4-[4-(4-amino-3-fluorophenoxy)-2-pyridinyl]thiophen-2-yl]propanoate.
What is the SMILES notation for ethyl 3-[4-[4-(4-amino-3-fluorophenoxy)-2-pyridinyl]thiophen-2-yl]propanoate?
The canonical SMILES for ethyl 3-[4-[4-(4-amino-3-fluorophenoxy)-2-pyridinyl]thiophen-2-yl]propanoate is CCOC(=O)CCc1cc(-c2cc(Oc3ccc(N)c(F)c3)ccn2)cs1.
What is the InChIKey of ethyl 3-[4-[4-(4-amino-3-fluorophenoxy)-2-pyridinyl]thiophen-2-yl]propanoate?
The InChIKey is YDAUQLJJOCGKST-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FN2O3S/c1-2-25-20(24)6-4-16-9-13(12-27-16)19-11-15(7-8-23-19)26-14-3-5-18(22)17(21)10-14/h3,5,7-12H,2,4,6,22H2,1H3.
What are the key properties of ethyl 3-[4-[4-(4-amino-3-fluorophenoxy)-2-pyridinyl]thiophen-2-yl]propanoate?
ethyl 3-[4-[4-(4-amino-3-fluorophenoxy)-2-pyridinyl]thiophen-2-yl]propanoate has a molecular weight of 386.45 g/mol, XLogP of 4.82, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[4-[4-(4-amino-3-fluorophenoxy)-2-pyridinyl]thiophen-2-yl]propanoate is sourced from PubChem (CID 144842234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).