1-[3-[1-(2-fluoroethyl)azetidin-3-yl]-1H-indol-6-yl]-4-phenylmethoxypyridin-2-one

C25H24FN3O2 — CID 56673836

IUPAC1-[3-[1-(2-fluoroethyl)azetidin-3-yl]-1H-indol-6-yl]-4-phenylmethoxypyridin-2-one
SMILESO=c1cc(OCc2ccccc2)ccn1-c1ccc2c(C3CN(CCF)C3)c[nH]c2c1
InChIInChI=1S/C25H24FN3O2/c26-9-11-28-15-19(16-28)23-14-27-24-12-20(6-7-22(23)24)29-10-8-21(13-25(29)30)31-17-18-4-2-1-3-5-18/h1-8,10,12-14,19,27H,9,11,15-17H2
InChIKeyHSSYJLUDDDEVOO-UHFFFAOYSA-N
MW417.48 g/mol
LogP4.27
Rot. Bonds7

About 1-[3-[1-(2-fluoroethyl)azetidin-3-yl]-1H-indol-6-yl]-4-phenylmethoxypyridin-2-one

1-[3-[1-(2-fluoroethyl)azetidin-3-yl]-1H-indol-6-yl]-4-phenylmethoxypyridin-2-one (PubChem CID 56673836) has the molecular formula C25H24FN3O2 and a molecular weight of 417.48 g/mol. Its IUPAC name is 1-[3-[1-(2-fluoroethyl)azetidin-3-yl]-1H-indol-6-yl]-4-phenylmethoxypyridin-2-one.

Molecular Properties

Compound Name1-[3-[1-(2-fluoroethyl)azetidin-3-yl]-1H-indol-6-yl]-4-phenylmethoxypyridin-2-one
PubChem CID56673836
Molecular FormulaC25H24FN3O2
Molecular Weight417.48 g/mol
Exact Mass417.19
IUPAC Name1-[3-[1-(2-fluoroethyl)azetidin-3-yl]-1H-indol-6-yl]-4-phenylmethoxypyridin-2-one
SMILESO=c1cc(OCc2ccccc2)ccn1-c1ccc2c(C3CN(CCF)C3)c[nH]c2c1
InChIInChI=1S/C25H24FN3O2/c26-9-11-28-15-19(16-28)23-14-27-24-12-20(6-7-22(23)24)29-10-8-21(13-25(29)30)31-17-18-4-2-1-3-5-18/h1-8,10,12-14,19,27H,9,11,15-17H2
InChIKeyHSSYJLUDDDEVOO-UHFFFAOYSA-N
XLogP4.27
TPSA50.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.48
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[3-[1-(2-fluoroethyl)azetidin-3-yl]-1H-indol-6-yl]-4-phenylmethoxypyridin-2-one?
The IUPAC name of 1-[3-[1-(2-fluoroethyl)azetidin-3-yl]-1H-indol-6-yl]-4-phenylmethoxypyridin-2-one (CID 56673836) is 1-[3-[1-(2-fluoroethyl)azetidin-3-yl]-1H-indol-6-yl]-4-phenylmethoxypyridin-2-one.
What is the SMILES notation for 1-[3-[1-(2-fluoroethyl)azetidin-3-yl]-1H-indol-6-yl]-4-phenylmethoxypyridin-2-one?
The canonical SMILES for 1-[3-[1-(2-fluoroethyl)azetidin-3-yl]-1H-indol-6-yl]-4-phenylmethoxypyridin-2-one is O=c1cc(OCc2ccccc2)ccn1-c1ccc2c(C3CN(CCF)C3)c[nH]c2c1.
What is the InChIKey of 1-[3-[1-(2-fluoroethyl)azetidin-3-yl]-1H-indol-6-yl]-4-phenylmethoxypyridin-2-one?
The InChIKey is HSSYJLUDDDEVOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24FN3O2/c26-9-11-28-15-19(16-28)23-14-27-24-12-20(6-7-22(23)24)29-10-8-21(13-25(29)30)31-17-18-4-2-1-3-5-18/h1-8,10,12-14,19,27H,9,11,15-17H2.
What are the key properties of 1-[3-[1-(2-fluoroethyl)azetidin-3-yl]-1H-indol-6-yl]-4-phenylmethoxypyridin-2-one?
1-[3-[1-(2-fluoroethyl)azetidin-3-yl]-1H-indol-6-yl]-4-phenylmethoxypyridin-2-one has a molecular weight of 417.48 g/mol, XLogP of 4.27, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[1-(2-fluoroethyl)azetidin-3-yl]-1H-indol-6-yl]-4-phenylmethoxypyridin-2-one is sourced from PubChem (CID 56673836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).