3-[2-(dimethylamino)ethyl]-7-fluoro-1-(pyridin-2-ylmethyl)indol-4-ol

C18H20FN3O — CID 58303994

IUPAC3-[2-(dimethylamino)ethyl]-7-fluoro-1-(pyridin-2-ylmethyl)indol-4-ol
SMILESCN(C)CCc1cn(Cc2ccccn2)c2c(F)ccc(O)c12
InChIInChI=1S/C18H20FN3O/c1-21(2)10-8-13-11-22(12-14-5-3-4-9-20-14)18-15(19)6-7-16(23)17(13)18/h3-7,9,11,23H,8,10,12H2,1-2H3
InChIKeyNYXMMDKJBBHOTJ-UHFFFAOYSA-N
MW313.38 g/mol
LogP3.03
Rot. Bonds5

About 3-[2-(dimethylamino)ethyl]-7-fluoro-1-(pyridin-2-ylmethyl)indol-4-ol

3-[2-(dimethylamino)ethyl]-7-fluoro-1-(pyridin-2-ylmethyl)indol-4-ol (PubChem CID 58303994) has the molecular formula C18H20FN3O and a molecular weight of 313.38 g/mol. Its IUPAC name is 3-[2-(dimethylamino)ethyl]-7-fluoro-1-(pyridin-2-ylmethyl)indol-4-ol.

Molecular Properties

Compound Name3-[2-(dimethylamino)ethyl]-7-fluoro-1-(pyridin-2-ylmethyl)indol-4-ol
PubChem CID58303994
Molecular FormulaC18H20FN3O
Molecular Weight313.38 g/mol
Exact Mass313.16
IUPAC Name3-[2-(dimethylamino)ethyl]-7-fluoro-1-(pyridin-2-ylmethyl)indol-4-ol
SMILESCN(C)CCc1cn(Cc2ccccn2)c2c(F)ccc(O)c12
InChIInChI=1S/C18H20FN3O/c1-21(2)10-8-13-11-22(12-14-5-3-4-9-20-14)18-15(19)6-7-16(23)17(13)18/h3-7,9,11,23H,8,10,12H2,1-2H3
InChIKeyNYXMMDKJBBHOTJ-UHFFFAOYSA-N
XLogP3.03
TPSA41.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.38
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(dimethylamino)ethyl]-7-fluoro-1-(pyridin-2-ylmethyl)indol-4-ol?
The IUPAC name of 3-[2-(dimethylamino)ethyl]-7-fluoro-1-(pyridin-2-ylmethyl)indol-4-ol (CID 58303994) is 3-[2-(dimethylamino)ethyl]-7-fluoro-1-(pyridin-2-ylmethyl)indol-4-ol.
What is the SMILES notation for 3-[2-(dimethylamino)ethyl]-7-fluoro-1-(pyridin-2-ylmethyl)indol-4-ol?
The canonical SMILES for 3-[2-(dimethylamino)ethyl]-7-fluoro-1-(pyridin-2-ylmethyl)indol-4-ol is CN(C)CCc1cn(Cc2ccccn2)c2c(F)ccc(O)c12.
What is the InChIKey of 3-[2-(dimethylamino)ethyl]-7-fluoro-1-(pyridin-2-ylmethyl)indol-4-ol?
The InChIKey is NYXMMDKJBBHOTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FN3O/c1-21(2)10-8-13-11-22(12-14-5-3-4-9-20-14)18-15(19)6-7-16(23)17(13)18/h3-7,9,11,23H,8,10,12H2,1-2H3.
What are the key properties of 3-[2-(dimethylamino)ethyl]-7-fluoro-1-(pyridin-2-ylmethyl)indol-4-ol?
3-[2-(dimethylamino)ethyl]-7-fluoro-1-(pyridin-2-ylmethyl)indol-4-ol has a molecular weight of 313.38 g/mol, XLogP of 3.03, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(dimethylamino)ethyl]-7-fluoro-1-(pyridin-2-ylmethyl)indol-4-ol is sourced from PubChem (CID 58303994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).