1H-indol-3-yl-[3-[[6-(trifluoromethyl)-2-pyridinyl]oxy]azetidin-1-yl]methanone

C18H14F3N3O2 — CID 122251919

IUPAC1H-indol-3-yl-[3-[[6-(trifluoromethyl)-2-pyridinyl]oxy]azetidin-1-yl]methanone
SMILESO=C(c1c[nH]c2ccccc12)N1CC(Oc2cccc(C(F)(F)F)n2)C1
InChIInChI=1S/C18H14F3N3O2/c19-18(20,21)15-6-3-7-16(23-15)26-11-9-24(10-11)17(25)13-8-22-14-5-2-1-4-12(13)14/h1-8,11,22H,9-10H2
InChIKeyQIBPGRHKIJZODG-UHFFFAOYSA-N
MW361.32 g/mol
LogP3.49
Rot. Bonds3

About 1H-indol-3-yl-[3-[[6-(trifluoromethyl)-2-pyridinyl]oxy]azetidin-1-yl]methanone

1H-indol-3-yl-[3-[[6-(trifluoromethyl)-2-pyridinyl]oxy]azetidin-1-yl]methanone (PubChem CID 122251919) has the molecular formula C18H14F3N3O2 and a molecular weight of 361.32 g/mol. Its IUPAC name is 1H-indol-3-yl-[3-[[6-(trifluoromethyl)-2-pyridinyl]oxy]azetidin-1-yl]methanone.

Molecular Properties

Compound Name1H-indol-3-yl-[3-[[6-(trifluoromethyl)-2-pyridinyl]oxy]azetidin-1-yl]methanone
PubChem CID122251919
Molecular FormulaC18H14F3N3O2
Molecular Weight361.32 g/mol
Exact Mass361.10
IUPAC Name1H-indol-3-yl-[3-[[6-(trifluoromethyl)-2-pyridinyl]oxy]azetidin-1-yl]methanone
SMILESO=C(c1c[nH]c2ccccc12)N1CC(Oc2cccc(C(F)(F)F)n2)C1
InChIInChI=1S/C18H14F3N3O2/c19-18(20,21)15-6-3-7-16(23-15)26-11-9-24(10-11)17(25)13-8-22-14-5-2-1-4-12(13)14/h1-8,11,22H,9-10H2
InChIKeyQIBPGRHKIJZODG-UHFFFAOYSA-N
XLogP3.49
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.32
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-methyl-1H-indol-3-yl)-2-[3-[[6-(trifluoromethyl)-2-pyridinyl]oxy]azetidin-1-yl]ethane-1,2-dione
CID 122251898
3-[3-[[6-(trifluoromethyl)-2-pyridinyl]oxy]azetidine-1-carbonyl]-1H-pyridazin-6-one
CID 122251746
(4-methylphenyl)-[3-[[6-(trifluoromethyl)-2-pyridinyl]oxy]azetidin-1-yl]methanone
CID 122251806
(4-bromophenyl)-[3-[[6-(trifluoromethyl)-2-pyridinyl]oxy]azetidin-1-yl]methanone
CID 122251830
(4-phenoxyphenyl)-[3-[[6-(trifluoromethyl)-2-pyridinyl]oxy]azetidin-1-yl]methanone
CID 122251942
6-[1-(1H-indole-3-carbonyl)azetidin-3-yl]oxypyridine-3-carbonitrile
CID 122248812
5-[3-[[6-(trifluoromethyl)-2-pyridinyl]oxy]azetidine-1-carbonyl]pyran-2-one
CID 122251923
(4-nitrophenyl)-[3-[[6-(trifluoromethyl)-2-pyridinyl]oxy]azetidin-1-yl]methanone
CID 122251840
(4-methyl-1,3-thiazol-5-yl)-[3-[[6-(trifluoromethyl)-2-pyridinyl]oxy]azetidin-1-yl]methanone
CID 122252031
(3-fluoro-4-methylphenyl)-[3-[[6-(trifluoromethyl)-2-pyridinyl]oxy]azetidin-1-yl]methanone
CID 122252030
(5-bromo-3-pyridinyl)-[3-[[6-(trifluoromethyl)-2-pyridinyl]oxy]azetidin-1-yl]methanone
CID 122251771
N,N-diethyl-3-[[6-(trifluoromethyl)-2-pyridinyl]oxy]azetidine-1-carboxamide
CID 122252087

Frequently Asked Questions

What is the IUPAC name of 1H-indol-3-yl-[3-[[6-(trifluoromethyl)-2-pyridinyl]oxy]azetidin-1-yl]methanone?
The IUPAC name of 1H-indol-3-yl-[3-[[6-(trifluoromethyl)-2-pyridinyl]oxy]azetidin-1-yl]methanone (CID 122251919) is 1H-indol-3-yl-[3-[[6-(trifluoromethyl)-2-pyridinyl]oxy]azetidin-1-yl]methanone.
What is the SMILES notation for 1H-indol-3-yl-[3-[[6-(trifluoromethyl)-2-pyridinyl]oxy]azetidin-1-yl]methanone?
The canonical SMILES for 1H-indol-3-yl-[3-[[6-(trifluoromethyl)-2-pyridinyl]oxy]azetidin-1-yl]methanone is O=C(c1c[nH]c2ccccc12)N1CC(Oc2cccc(C(F)(F)F)n2)C1.
What is the InChIKey of 1H-indol-3-yl-[3-[[6-(trifluoromethyl)-2-pyridinyl]oxy]azetidin-1-yl]methanone?
The InChIKey is QIBPGRHKIJZODG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14F3N3O2/c19-18(20,21)15-6-3-7-16(23-15)26-11-9-24(10-11)17(25)13-8-22-14-5-2-1-4-12(13)14/h1-8,11,22H,9-10H2.
What are the key properties of 1H-indol-3-yl-[3-[[6-(trifluoromethyl)-2-pyridinyl]oxy]azetidin-1-yl]methanone?
1H-indol-3-yl-[3-[[6-(trifluoromethyl)-2-pyridinyl]oxy]azetidin-1-yl]methanone has a molecular weight of 361.32 g/mol, XLogP of 3.49, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-indol-3-yl-[3-[[6-(trifluoromethyl)-2-pyridinyl]oxy]azetidin-1-yl]methanone is sourced from PubChem (CID 122251919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).