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

C26H27N3O3 — CID 56660001

IUPAC1-[3-[1-(2-methoxyethyl)azetidin-3-yl]-1H-indol-6-yl]-4-phenylmethoxypyridin-2-one
SMILESCOCCN1CC(c2c[nH]c3cc(-n4ccc(OCc5ccccc5)cc4=O)ccc23)C1
InChIInChI=1S/C26H27N3O3/c1-31-12-11-28-16-20(17-28)24-15-27-25-13-21(7-8-23(24)25)29-10-9-22(14-26(29)30)32-18-19-5-3-2-4-6-19/h2-10,13-15,20,27H,11-12,16-18H2,1H3
InChIKeyJXCRAGNWKFXKSX-UHFFFAOYSA-N
MW429.52 g/mol
LogP3.94
Rot. Bonds8

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

1-[3-[1-(2-methoxyethyl)azetidin-3-yl]-1H-indol-6-yl]-4-phenylmethoxypyridin-2-one (PubChem CID 56660001) has the molecular formula C26H27N3O3 and a molecular weight of 429.52 g/mol. Its IUPAC name is 1-[3-[1-(2-methoxyethyl)azetidin-3-yl]-1H-indol-6-yl]-4-phenylmethoxypyridin-2-one.

Molecular Properties

Compound Name1-[3-[1-(2-methoxyethyl)azetidin-3-yl]-1H-indol-6-yl]-4-phenylmethoxypyridin-2-one
PubChem CID56660001
Molecular FormulaC26H27N3O3
Molecular Weight429.52 g/mol
Exact Mass429.21
IUPAC Name1-[3-[1-(2-methoxyethyl)azetidin-3-yl]-1H-indol-6-yl]-4-phenylmethoxypyridin-2-one
SMILESCOCCN1CC(c2c[nH]c3cc(-n4ccc(OCc5ccccc5)cc4=O)ccc23)C1
InChIInChI=1S/C26H27N3O3/c1-31-12-11-28-16-20(17-28)24-15-27-25-13-21(7-8-23(24)25)29-10-9-22(14-26(29)30)32-18-19-5-3-2-4-6-19/h2-10,13-15,20,27H,11-12,16-18H2,1H3
InChIKeyJXCRAGNWKFXKSX-UHFFFAOYSA-N
XLogP3.94
TPSA59.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.52
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[3-[1-(2-methoxyethyl)azetidin-3-yl]-1H-indol-6-yl]-4-phenylmethoxypyridin-2-one?
The IUPAC name of 1-[3-[1-(2-methoxyethyl)azetidin-3-yl]-1H-indol-6-yl]-4-phenylmethoxypyridin-2-one (CID 56660001) is 1-[3-[1-(2-methoxyethyl)azetidin-3-yl]-1H-indol-6-yl]-4-phenylmethoxypyridin-2-one.
What is the SMILES notation for 1-[3-[1-(2-methoxyethyl)azetidin-3-yl]-1H-indol-6-yl]-4-phenylmethoxypyridin-2-one?
The canonical SMILES for 1-[3-[1-(2-methoxyethyl)azetidin-3-yl]-1H-indol-6-yl]-4-phenylmethoxypyridin-2-one is COCCN1CC(c2c[nH]c3cc(-n4ccc(OCc5ccccc5)cc4=O)ccc23)C1.
What is the InChIKey of 1-[3-[1-(2-methoxyethyl)azetidin-3-yl]-1H-indol-6-yl]-4-phenylmethoxypyridin-2-one?
The InChIKey is JXCRAGNWKFXKSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N3O3/c1-31-12-11-28-16-20(17-28)24-15-27-25-13-21(7-8-23(24)25)29-10-9-22(14-26(29)30)32-18-19-5-3-2-4-6-19/h2-10,13-15,20,27H,11-12,16-18H2,1H3.
What are the key properties of 1-[3-[1-(2-methoxyethyl)azetidin-3-yl]-1H-indol-6-yl]-4-phenylmethoxypyridin-2-one?
1-[3-[1-(2-methoxyethyl)azetidin-3-yl]-1H-indol-6-yl]-4-phenylmethoxypyridin-2-one has a molecular weight of 429.52 g/mol, XLogP of 3.94, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[1-(2-methoxyethyl)azetidin-3-yl]-1H-indol-6-yl]-4-phenylmethoxypyridin-2-one is sourced from PubChem (CID 56660001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).