2-amino-1-[6-(7-fluoro-1-benzothiophen-3-yl)-4-[(4-methoxyphenyl)methoxy]-2-pyridinyl]ethanol

C23H21FN2O3S — CID 90061528

IUPAC2-amino-1-[6-(7-fluoro-1-benzothiophen-3-yl)-4-[(4-methoxyphenyl)methoxy]-2-pyridinyl]ethanol
SMILESCOc1ccc(COc2cc(-c3csc4c(F)cccc34)nc(C(O)CN)c2)cc1
InChIInChI=1S/C23H21FN2O3S/c1-28-15-7-5-14(6-8-15)12-29-16-9-20(26-21(10-16)22(27)11-25)18-13-30-23-17(18)3-2-4-19(23)24/h2-10,13,22,27H,11-12,25H2,1H3
InChIKeyYQAHCYXAPDAZLU-UHFFFAOYSA-N
MW424.50 g/mol
LogP4.68
Rot. Bonds7

About 2-amino-1-[6-(7-fluoro-1-benzothiophen-3-yl)-4-[(4-methoxyphenyl)methoxy]-2-pyridinyl]ethanol

2-amino-1-[6-(7-fluoro-1-benzothiophen-3-yl)-4-[(4-methoxyphenyl)methoxy]-2-pyridinyl]ethanol (PubChem CID 90061528) has the molecular formula C23H21FN2O3S and a molecular weight of 424.50 g/mol. Its IUPAC name is 2-amino-1-[6-(7-fluoro-1-benzothiophen-3-yl)-4-[(4-methoxyphenyl)methoxy]-2-pyridinyl]ethanol.

Molecular Properties

Compound Name2-amino-1-[6-(7-fluoro-1-benzothiophen-3-yl)-4-[(4-methoxyphenyl)methoxy]-2-pyridinyl]ethanol
PubChem CID90061528
Molecular FormulaC23H21FN2O3S
Molecular Weight424.50 g/mol
Exact Mass424.13
IUPAC Name2-amino-1-[6-(7-fluoro-1-benzothiophen-3-yl)-4-[(4-methoxyphenyl)methoxy]-2-pyridinyl]ethanol
SMILESCOc1ccc(COc2cc(-c3csc4c(F)cccc34)nc(C(O)CN)c2)cc1
InChIInChI=1S/C23H21FN2O3S/c1-28-15-7-5-14(6-8-15)12-29-16-9-20(26-21(10-16)22(27)11-25)18-13-30-23-17(18)3-2-4-19(23)24/h2-10,13,22,27H,11-12,25H2,1H3
InChIKeyYQAHCYXAPDAZLU-UHFFFAOYSA-N
XLogP4.68
TPSA77.60 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.50
LogP ≤ 54.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-amino-1-[6-(7-fluoro-1-benzothiophen-3-yl)-4-[(4-methoxyphenyl)methoxy]-2-pyridinyl]ethanol?
The IUPAC name of 2-amino-1-[6-(7-fluoro-1-benzothiophen-3-yl)-4-[(4-methoxyphenyl)methoxy]-2-pyridinyl]ethanol (CID 90061528) is 2-amino-1-[6-(7-fluoro-1-benzothiophen-3-yl)-4-[(4-methoxyphenyl)methoxy]-2-pyridinyl]ethanol.
What is the SMILES notation for 2-amino-1-[6-(7-fluoro-1-benzothiophen-3-yl)-4-[(4-methoxyphenyl)methoxy]-2-pyridinyl]ethanol?
The canonical SMILES for 2-amino-1-[6-(7-fluoro-1-benzothiophen-3-yl)-4-[(4-methoxyphenyl)methoxy]-2-pyridinyl]ethanol is COc1ccc(COc2cc(-c3csc4c(F)cccc34)nc(C(O)CN)c2)cc1.
What is the InChIKey of 2-amino-1-[6-(7-fluoro-1-benzothiophen-3-yl)-4-[(4-methoxyphenyl)methoxy]-2-pyridinyl]ethanol?
The InChIKey is YQAHCYXAPDAZLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21FN2O3S/c1-28-15-7-5-14(6-8-15)12-29-16-9-20(26-21(10-16)22(27)11-25)18-13-30-23-17(18)3-2-4-19(23)24/h2-10,13,22,27H,11-12,25H2,1H3.
What are the key properties of 2-amino-1-[6-(7-fluoro-1-benzothiophen-3-yl)-4-[(4-methoxyphenyl)methoxy]-2-pyridinyl]ethanol?
2-amino-1-[6-(7-fluoro-1-benzothiophen-3-yl)-4-[(4-methoxyphenyl)methoxy]-2-pyridinyl]ethanol has a molecular weight of 424.50 g/mol, XLogP of 4.68, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-[6-(7-fluoro-1-benzothiophen-3-yl)-4-[(4-methoxyphenyl)methoxy]-2-pyridinyl]ethanol is sourced from PubChem (CID 90061528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).