4-[(4-fluorophenoxy)methyl]-1-[3-(1-methylazetidin-3-yl)-1H-indol-6-yl]pyridin-2-one

C24H22FN3O2 — CID 70961193

IUPAC4-[(4-fluorophenoxy)methyl]-1-[3-(1-methylazetidin-3-yl)-1H-indol-6-yl]pyridin-2-one
SMILESCN1CC(c2c[nH]c3cc(-n4ccc(COc5ccc(F)cc5)cc4=O)ccc23)C1
InChIInChI=1S/C24H22FN3O2/c1-27-13-17(14-27)22-12-26-23-11-19(4-7-21(22)23)28-9-8-16(10-24(28)29)15-30-20-5-2-18(25)3-6-20/h2-12,17,26H,13-15H2,1H3
InChIKeyPMPNLKBTKVUSSB-UHFFFAOYSA-N
MW403.46 g/mol
LogP4.07
Rot. Bonds5

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

4-[(4-fluorophenoxy)methyl]-1-[3-(1-methylazetidin-3-yl)-1H-indol-6-yl]pyridin-2-one (PubChem CID 70961193) has the molecular formula C24H22FN3O2 and a molecular weight of 403.46 g/mol. Its IUPAC name is 4-[(4-fluorophenoxy)methyl]-1-[3-(1-methylazetidin-3-yl)-1H-indol-6-yl]pyridin-2-one.

Molecular Properties

Compound Name4-[(4-fluorophenoxy)methyl]-1-[3-(1-methylazetidin-3-yl)-1H-indol-6-yl]pyridin-2-one
PubChem CID70961193
Molecular FormulaC24H22FN3O2
Molecular Weight403.46 g/mol
Exact Mass403.17
IUPAC Name4-[(4-fluorophenoxy)methyl]-1-[3-(1-methylazetidin-3-yl)-1H-indol-6-yl]pyridin-2-one
SMILESCN1CC(c2c[nH]c3cc(-n4ccc(COc5ccc(F)cc5)cc4=O)ccc23)C1
InChIInChI=1S/C24H22FN3O2/c1-27-13-17(14-27)22-12-26-23-11-19(4-7-21(22)23)28-9-8-16(10-24(28)29)15-30-20-5-2-18(25)3-6-20/h2-12,17,26H,13-15H2,1H3
InChIKeyPMPNLKBTKVUSSB-UHFFFAOYSA-N
XLogP4.07
TPSA50.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.46
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[(4-fluorophenoxy)methyl]-1-[3-(1-methylazetidin-3-yl)-1H-indol-6-yl]pyridin-2-one?
The IUPAC name of 4-[(4-fluorophenoxy)methyl]-1-[3-(1-methylazetidin-3-yl)-1H-indol-6-yl]pyridin-2-one (CID 70961193) is 4-[(4-fluorophenoxy)methyl]-1-[3-(1-methylazetidin-3-yl)-1H-indol-6-yl]pyridin-2-one.
What is the SMILES notation for 4-[(4-fluorophenoxy)methyl]-1-[3-(1-methylazetidin-3-yl)-1H-indol-6-yl]pyridin-2-one?
The canonical SMILES for 4-[(4-fluorophenoxy)methyl]-1-[3-(1-methylazetidin-3-yl)-1H-indol-6-yl]pyridin-2-one is CN1CC(c2c[nH]c3cc(-n4ccc(COc5ccc(F)cc5)cc4=O)ccc23)C1.
What is the InChIKey of 4-[(4-fluorophenoxy)methyl]-1-[3-(1-methylazetidin-3-yl)-1H-indol-6-yl]pyridin-2-one?
The InChIKey is PMPNLKBTKVUSSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22FN3O2/c1-27-13-17(14-27)22-12-26-23-11-19(4-7-21(22)23)28-9-8-16(10-24(28)29)15-30-20-5-2-18(25)3-6-20/h2-12,17,26H,13-15H2,1H3.
What are the key properties of 4-[(4-fluorophenoxy)methyl]-1-[3-(1-methylazetidin-3-yl)-1H-indol-6-yl]pyridin-2-one?
4-[(4-fluorophenoxy)methyl]-1-[3-(1-methylazetidin-3-yl)-1H-indol-6-yl]pyridin-2-one has a molecular weight of 403.46 g/mol, XLogP of 4.07, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-fluorophenoxy)methyl]-1-[3-(1-methylazetidin-3-yl)-1H-indol-6-yl]pyridin-2-one is sourced from PubChem (CID 70961193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).