2-(1H-indol-3-yl)-1-[3-[[2-(trifluoromethyl)-4-pyridinyl]oxy]azetidin-1-yl]ethanone

C19H16F3N3O2 — CID 146080741

IUPAC2-(1H-indol-3-yl)-1-[3-[[2-(trifluoromethyl)-4-pyridinyl]oxy]azetidin-1-yl]ethanone
SMILESO=C(Cc1c[nH]c2ccccc12)N1CC(Oc2ccnc(C(F)(F)F)c2)C1
InChIInChI=1S/C19H16F3N3O2/c20-19(21,22)17-8-13(5-6-23-17)27-14-10-25(11-14)18(26)7-12-9-24-16-4-2-1-3-15(12)16/h1-6,8-9,14,24H,7,10-11H2
InChIKeyGLUXJCHAHCVOPP-UHFFFAOYSA-N
MW375.35 g/mol
LogP3.41
Rot. Bonds4

About 2-(1H-indol-3-yl)-1-[3-[[2-(trifluoromethyl)-4-pyridinyl]oxy]azetidin-1-yl]ethanone

2-(1H-indol-3-yl)-1-[3-[[2-(trifluoromethyl)-4-pyridinyl]oxy]azetidin-1-yl]ethanone (PubChem CID 146080741) has the molecular formula C19H16F3N3O2 and a molecular weight of 375.35 g/mol. Its IUPAC name is 2-(1H-indol-3-yl)-1-[3-[[2-(trifluoromethyl)-4-pyridinyl]oxy]azetidin-1-yl]ethanone.

Molecular Properties

Compound Name2-(1H-indol-3-yl)-1-[3-[[2-(trifluoromethyl)-4-pyridinyl]oxy]azetidin-1-yl]ethanone
PubChem CID146080741
Molecular FormulaC19H16F3N3O2
Molecular Weight375.35 g/mol
Exact Mass375.12
IUPAC Name2-(1H-indol-3-yl)-1-[3-[[2-(trifluoromethyl)-4-pyridinyl]oxy]azetidin-1-yl]ethanone
SMILESO=C(Cc1c[nH]c2ccccc12)N1CC(Oc2ccnc(C(F)(F)F)c2)C1
InChIInChI=1S/C19H16F3N3O2/c20-19(21,22)17-8-13(5-6-23-17)27-14-10-25(11-14)18(26)7-12-9-24-16-4-2-1-3-15(12)16/h1-6,8-9,14,24H,7,10-11H2
InChIKeyGLUXJCHAHCVOPP-UHFFFAOYSA-N
XLogP3.41
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.35
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(1H-indol-3-yl)-1-[3-[[2-(trifluoromethyl)-4-pyridinyl]oxy]azetidin-1-yl]ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-cyclopropyl-1-[3-[[2-(trifluoromethyl)-4-pyridinyl]oxy]azetidin-1-yl]ethanone
CID 139028611
1-(3,4-dihydroxypyrrolidin-1-yl)-2-(1H-indol-3-yl)ethanone
CID 106671580
3-[2-oxo-2-[3-[[2-(trifluoromethyl)-4-pyridinyl]oxy]azetidin-1-yl]ethyl]-1,3-benzoxazol-2-one
CID 139027827
1-(3,4-dimethylpyrrolidin-1-yl)-2-(1H-indol-3-yl)ethanone
CID 79036611
1-(3,6-diazabicyclo[3.1.1]heptan-3-yl)-2-(1H-indol-3-yl)ethanone
CID 71099604
1-[(3R)-3-(4,6-dimethylpyrimidin-2-yl)oxypyrrolidin-1-yl]-2-(1H-indol-3-yl)ethanone
CID 129355491
2-(1H-indol-3-yl)-1-(3-pyrazin-2-yloxypiperidin-1-yl)ethanone
CID 91627845
2-(1H-indol-3-yl)-1-[3-(2-methoxypyrimidin-4-yl)oxypiperidin-1-yl]ethanone
CID 122261208
1-[3-(4-fluorophenyl)sulfonylazetidin-1-yl]-2-(1H-indol-3-yl)ethanone
CID 71809253
2-(1H-indol-3-ylsulfanyl)-1-[3-[[4-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]ethanone
CID 91815800
1-[(3S,4R)-3-hydroxy-4-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrrolidin-1-yl]-2-(1H-indol-3-yl)ethanone
CID 134698628
1-(3-pyridin-4-yloxyazetidin-1-yl)-2-[3-(trifluoromethyl)phenyl]ethanone
CID 155800940

Frequently Asked Questions

What is the IUPAC name of 2-(1H-indol-3-yl)-1-[3-[[2-(trifluoromethyl)-4-pyridinyl]oxy]azetidin-1-yl]ethanone?
The IUPAC name of 2-(1H-indol-3-yl)-1-[3-[[2-(trifluoromethyl)-4-pyridinyl]oxy]azetidin-1-yl]ethanone (CID 146080741) is 2-(1H-indol-3-yl)-1-[3-[[2-(trifluoromethyl)-4-pyridinyl]oxy]azetidin-1-yl]ethanone.
What is the SMILES notation for 2-(1H-indol-3-yl)-1-[3-[[2-(trifluoromethyl)-4-pyridinyl]oxy]azetidin-1-yl]ethanone?
The canonical SMILES for 2-(1H-indol-3-yl)-1-[3-[[2-(trifluoromethyl)-4-pyridinyl]oxy]azetidin-1-yl]ethanone is O=C(Cc1c[nH]c2ccccc12)N1CC(Oc2ccnc(C(F)(F)F)c2)C1.
What is the InChIKey of 2-(1H-indol-3-yl)-1-[3-[[2-(trifluoromethyl)-4-pyridinyl]oxy]azetidin-1-yl]ethanone?
The InChIKey is GLUXJCHAHCVOPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16F3N3O2/c20-19(21,22)17-8-13(5-6-23-17)27-14-10-25(11-14)18(26)7-12-9-24-16-4-2-1-3-15(12)16/h1-6,8-9,14,24H,7,10-11H2.
What are the key properties of 2-(1H-indol-3-yl)-1-[3-[[2-(trifluoromethyl)-4-pyridinyl]oxy]azetidin-1-yl]ethanone?
2-(1H-indol-3-yl)-1-[3-[[2-(trifluoromethyl)-4-pyridinyl]oxy]azetidin-1-yl]ethanone has a molecular weight of 375.35 g/mol, XLogP of 3.41, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-indol-3-yl)-1-[3-[[2-(trifluoromethyl)-4-pyridinyl]oxy]azetidin-1-yl]ethanone is sourced from PubChem (CID 146080741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).