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

C24H23N3O2 — CID 46869326

IUPAC1-[3-(1-methylazetidin-3-yl)-1H-indol-6-yl]-4-phenylmethoxypyridin-2-one
SMILESCN1CC(c2c[nH]c3cc(-n4ccc(OCc5ccccc5)cc4=O)ccc23)C1
InChIInChI=1S/C24H23N3O2/c1-26-14-18(15-26)22-13-25-23-11-19(7-8-21(22)23)27-10-9-20(12-24(27)28)29-16-17-5-3-2-4-6-17/h2-13,18,25H,14-16H2,1H3
InChIKeyVENQEUPIUTUQBC-UHFFFAOYSA-N
MW385.47 g/mol
LogP3.93
Rot. Bonds5

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

1-[3-(1-methylazetidin-3-yl)-1H-indol-6-yl]-4-phenylmethoxypyridin-2-one (PubChem CID 46869326) has the molecular formula C24H23N3O2 and a molecular weight of 385.47 g/mol. Its IUPAC name is 1-[3-(1-methylazetidin-3-yl)-1H-indol-6-yl]-4-phenylmethoxypyridin-2-one.

Molecular Properties

Compound Name1-[3-(1-methylazetidin-3-yl)-1H-indol-6-yl]-4-phenylmethoxypyridin-2-one
PubChem CID46869326
Molecular FormulaC24H23N3O2
Molecular Weight385.47 g/mol
Exact Mass385.18
IUPAC Name1-[3-(1-methylazetidin-3-yl)-1H-indol-6-yl]-4-phenylmethoxypyridin-2-one
SMILESCN1CC(c2c[nH]c3cc(-n4ccc(OCc5ccccc5)cc4=O)ccc23)C1
InChIInChI=1S/C24H23N3O2/c1-26-14-18(15-26)22-13-25-23-11-19(7-8-21(22)23)27-10-9-20(12-24(27)28)29-16-17-5-3-2-4-6-17/h2-13,18,25H,14-16H2,1H3
InChIKeyVENQEUPIUTUQBC-UHFFFAOYSA-N
XLogP3.93
TPSA50.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.47
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(1-methylazetidin-3-yl)-1H-indol-6-yl]-4-phenylmethoxypyridin-2-one?
The IUPAC name of 1-[3-(1-methylazetidin-3-yl)-1H-indol-6-yl]-4-phenylmethoxypyridin-2-one (CID 46869326) is 1-[3-(1-methylazetidin-3-yl)-1H-indol-6-yl]-4-phenylmethoxypyridin-2-one.
What is the SMILES notation for 1-[3-(1-methylazetidin-3-yl)-1H-indol-6-yl]-4-phenylmethoxypyridin-2-one?
The canonical SMILES for 1-[3-(1-methylazetidin-3-yl)-1H-indol-6-yl]-4-phenylmethoxypyridin-2-one is CN1CC(c2c[nH]c3cc(-n4ccc(OCc5ccccc5)cc4=O)ccc23)C1.
What is the InChIKey of 1-[3-(1-methylazetidin-3-yl)-1H-indol-6-yl]-4-phenylmethoxypyridin-2-one?
The InChIKey is VENQEUPIUTUQBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N3O2/c1-26-14-18(15-26)22-13-25-23-11-19(7-8-21(22)23)27-10-9-20(12-24(27)28)29-16-17-5-3-2-4-6-17/h2-13,18,25H,14-16H2,1H3.
What are the key properties of 1-[3-(1-methylazetidin-3-yl)-1H-indol-6-yl]-4-phenylmethoxypyridin-2-one?
1-[3-(1-methylazetidin-3-yl)-1H-indol-6-yl]-4-phenylmethoxypyridin-2-one has a molecular weight of 385.47 g/mol, XLogP of 3.93, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(1-methylazetidin-3-yl)-1H-indol-6-yl]-4-phenylmethoxypyridin-2-one is sourced from PubChem (CID 46869326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).