[3-[(6-chloropyrazin-2-yl)oxymethyl]azetidin-1-yl]-[3-(trifluoromethyl)phenyl]methanone

C16H13ClF3N3O2 — CID 172882505

IUPAC[3-[(6-chloropyrazin-2-yl)oxymethyl]azetidin-1-yl]-[3-(trifluoromethyl)phenyl]methanone
SMILESO=C(c1cccc(C(F)(F)F)c1)N1CC(COc2cncc(Cl)n2)C1
InChIInChI=1S/C16H13ClF3N3O2/c17-13-5-21-6-14(22-13)25-9-10-7-23(8-10)15(24)11-2-1-3-12(4-11)16(18,19)20/h1-6,10H,7-9H2
InChIKeyBGQSSLCSVQIRCO-UHFFFAOYSA-N
MW371.75 g/mol
LogP3.30
Rot. Bonds4

About [3-[(6-chloropyrazin-2-yl)oxymethyl]azetidin-1-yl]-[3-(trifluoromethyl)phenyl]methanone

[3-[(6-chloropyrazin-2-yl)oxymethyl]azetidin-1-yl]-[3-(trifluoromethyl)phenyl]methanone (PubChem CID 172882505) has the molecular formula C16H13ClF3N3O2 and a molecular weight of 371.75 g/mol. Its IUPAC name is [3-[(6-chloropyrazin-2-yl)oxymethyl]azetidin-1-yl]-[3-(trifluoromethyl)phenyl]methanone.

Molecular Properties

Compound Name[3-[(6-chloropyrazin-2-yl)oxymethyl]azetidin-1-yl]-[3-(trifluoromethyl)phenyl]methanone
PubChem CID172882505
Molecular FormulaC16H13ClF3N3O2
Molecular Weight371.75 g/mol
Exact Mass371.06
IUPAC Name[3-[(6-chloropyrazin-2-yl)oxymethyl]azetidin-1-yl]-[3-(trifluoromethyl)phenyl]methanone
SMILESO=C(c1cccc(C(F)(F)F)c1)N1CC(COc2cncc(Cl)n2)C1
InChIInChI=1S/C16H13ClF3N3O2/c17-13-5-21-6-14(22-13)25-9-10-7-23(8-10)15(24)11-2-1-3-12(4-11)16(18,19)20/h1-6,10H,7-9H2
InChIKeyBGQSSLCSVQIRCO-UHFFFAOYSA-N
XLogP3.30
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.75
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[3-[(6-chloropyrazin-2-yl)oxymethyl]azetidin-1-yl]-(3-nitrophenyl)methanone
CID 172882511
1-[3-[(6-chloropyrazin-2-yl)oxymethyl]azetidin-1-yl]-2-hydroxy-2-methylpropan-1-one
CID 171998783
(3-ethylsulfonylazetidin-1-yl)-[3-(trifluoromethyl)phenyl]methanone
CID 121164314
tert-butyl 3-[[6-chloro-4-(trifluoromethyl)-2-pyridinyl]oxymethyl]azetidine-1-carboxylate
CID 146380661
(3-aminopyrrolidin-1-yl)-[3-(trifluoromethyl)phenyl]methanone;hydrochloride
CID 119483027
[3-[(3-chloro-4-pyridinyl)oxy]pyrrolidin-1-yl]-[3-(trifluoromethyl)phenyl]methanone
CID 121017487
[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-[3-(trifluoromethyl)phenyl]methanone;hydrochloride
CID 120660239
[3-(dimethylamino)phenyl]-[3-[[6-(trifluoromethyl)-2-pyridinyl]oxymethyl]pyrrolidin-1-yl]methanone
CID 146078748
[3-(methylaminomethyl)pyrrolidin-1-yl]-[3-(trifluoromethyl)phenyl]methanone
CID 63264345
3-[(6-chloropyrazin-2-yl)oxymethyl]-N-(oxolan-2-ylmethyl)azetidine-1-carboxamide
CID 172905081
[(7R,8aR)-7-[(5-chloro-2-pyridinyl)oxy]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-[3-(trifluoromethyl)phenyl]methanone
CID 89480213
[4-(2-chloroquinoline-4-carbonyl)piperazin-1-yl]-[3-(trifluoromethyl)phenyl]methanone
CID 55785069

Frequently Asked Questions

What is the IUPAC name of [3-[(6-chloropyrazin-2-yl)oxymethyl]azetidin-1-yl]-[3-(trifluoromethyl)phenyl]methanone?
The IUPAC name of [3-[(6-chloropyrazin-2-yl)oxymethyl]azetidin-1-yl]-[3-(trifluoromethyl)phenyl]methanone (CID 172882505) is [3-[(6-chloropyrazin-2-yl)oxymethyl]azetidin-1-yl]-[3-(trifluoromethyl)phenyl]methanone.
What is the SMILES notation for [3-[(6-chloropyrazin-2-yl)oxymethyl]azetidin-1-yl]-[3-(trifluoromethyl)phenyl]methanone?
The canonical SMILES for [3-[(6-chloropyrazin-2-yl)oxymethyl]azetidin-1-yl]-[3-(trifluoromethyl)phenyl]methanone is O=C(c1cccc(C(F)(F)F)c1)N1CC(COc2cncc(Cl)n2)C1.
What is the InChIKey of [3-[(6-chloropyrazin-2-yl)oxymethyl]azetidin-1-yl]-[3-(trifluoromethyl)phenyl]methanone?
The InChIKey is BGQSSLCSVQIRCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClF3N3O2/c17-13-5-21-6-14(22-13)25-9-10-7-23(8-10)15(24)11-2-1-3-12(4-11)16(18,19)20/h1-6,10H,7-9H2.
What are the key properties of [3-[(6-chloropyrazin-2-yl)oxymethyl]azetidin-1-yl]-[3-(trifluoromethyl)phenyl]methanone?
[3-[(6-chloropyrazin-2-yl)oxymethyl]azetidin-1-yl]-[3-(trifluoromethyl)phenyl]methanone has a molecular weight of 371.75 g/mol, XLogP of 3.30, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(6-chloropyrazin-2-yl)oxymethyl]azetidin-1-yl]-[3-(trifluoromethyl)phenyl]methanone is sourced from PubChem (CID 172882505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).