2-ethoxy-N-[[6-[7-(2-fluoro-4-methylphenoxy)thieno[3,2-b]pyridin-2-yl]-3-pyridinyl]methyl]ethanamine

C24H24FN3O2S — CID 71286429

IUPAC2-ethoxy-N-[[6-[7-(2-fluoro-4-methylphenoxy)thieno[3,2-b]pyridin-2-yl]-3-pyridinyl]methyl]ethanamine
SMILESCCOCCNCc1ccc(-c2cc3nccc(Oc4ccc(C)cc4F)c3s2)nc1
InChIInChI=1S/C24H24FN3O2S/c1-3-29-11-10-26-14-17-5-6-19(28-15-17)23-13-20-24(31-23)22(8-9-27-20)30-21-7-4-16(2)12-18(21)25/h4-9,12-13,15,26H,3,10-11,14H2,1-2H3
InChIKeyITDHEKGIDIKGOH-UHFFFAOYSA-N
MW437.54 g/mol
LogP5.72
Rot. Bonds9

About 2-ethoxy-N-[[6-[7-(2-fluoro-4-methylphenoxy)thieno[3,2-b]pyridin-2-yl]-3-pyridinyl]methyl]ethanamine

2-ethoxy-N-[[6-[7-(2-fluoro-4-methylphenoxy)thieno[3,2-b]pyridin-2-yl]-3-pyridinyl]methyl]ethanamine (PubChem CID 71286429) has the molecular formula C24H24FN3O2S and a molecular weight of 437.54 g/mol. Its IUPAC name is 2-ethoxy-N-[[6-[7-(2-fluoro-4-methylphenoxy)thieno[3,2-b]pyridin-2-yl]-3-pyridinyl]methyl]ethanamine.

Molecular Properties

Compound Name2-ethoxy-N-[[6-[7-(2-fluoro-4-methylphenoxy)thieno[3,2-b]pyridin-2-yl]-3-pyridinyl]methyl]ethanamine
PubChem CID71286429
Molecular FormulaC24H24FN3O2S
Molecular Weight437.54 g/mol
Exact Mass437.16
IUPAC Name2-ethoxy-N-[[6-[7-(2-fluoro-4-methylphenoxy)thieno[3,2-b]pyridin-2-yl]-3-pyridinyl]methyl]ethanamine
SMILESCCOCCNCc1ccc(-c2cc3nccc(Oc4ccc(C)cc4F)c3s2)nc1
InChIInChI=1S/C24H24FN3O2S/c1-3-29-11-10-26-14-17-5-6-19(28-15-17)23-13-20-24(31-23)22(8-9-27-20)30-21-7-4-16(2)12-18(21)25/h4-9,12-13,15,26H,3,10-11,14H2,1-2H3
InChIKeyITDHEKGIDIKGOH-UHFFFAOYSA-N
XLogP5.72
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500437.54
LogP ≤ 55.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-N-[[6-[7-(2-fluoro-4-methylphenoxy)thieno[3,2-b]pyridin-2-yl]-3-pyridinyl]methyl]ethanamine?
The IUPAC name of 2-ethoxy-N-[[6-[7-(2-fluoro-4-methylphenoxy)thieno[3,2-b]pyridin-2-yl]-3-pyridinyl]methyl]ethanamine (CID 71286429) is 2-ethoxy-N-[[6-[7-(2-fluoro-4-methylphenoxy)thieno[3,2-b]pyridin-2-yl]-3-pyridinyl]methyl]ethanamine.
What is the SMILES notation for 2-ethoxy-N-[[6-[7-(2-fluoro-4-methylphenoxy)thieno[3,2-b]pyridin-2-yl]-3-pyridinyl]methyl]ethanamine?
The canonical SMILES for 2-ethoxy-N-[[6-[7-(2-fluoro-4-methylphenoxy)thieno[3,2-b]pyridin-2-yl]-3-pyridinyl]methyl]ethanamine is CCOCCNCc1ccc(-c2cc3nccc(Oc4ccc(C)cc4F)c3s2)nc1.
What is the InChIKey of 2-ethoxy-N-[[6-[7-(2-fluoro-4-methylphenoxy)thieno[3,2-b]pyridin-2-yl]-3-pyridinyl]methyl]ethanamine?
The InChIKey is ITDHEKGIDIKGOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24FN3O2S/c1-3-29-11-10-26-14-17-5-6-19(28-15-17)23-13-20-24(31-23)22(8-9-27-20)30-21-7-4-16(2)12-18(21)25/h4-9,12-13,15,26H,3,10-11,14H2,1-2H3.
What are the key properties of 2-ethoxy-N-[[6-[7-(2-fluoro-4-methylphenoxy)thieno[3,2-b]pyridin-2-yl]-3-pyridinyl]methyl]ethanamine?
2-ethoxy-N-[[6-[7-(2-fluoro-4-methylphenoxy)thieno[3,2-b]pyridin-2-yl]-3-pyridinyl]methyl]ethanamine has a molecular weight of 437.54 g/mol, XLogP of 5.72, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-N-[[6-[7-(2-fluoro-4-methylphenoxy)thieno[3,2-b]pyridin-2-yl]-3-pyridinyl]methyl]ethanamine is sourced from PubChem (CID 71286429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).