(5-methylpyrazin-2-yl)-[3-[[2-(trifluoromethyl)-4-pyridinyl]oxy]azetidin-1-yl]methanone

C15H13F3N4O2 — CID 163353329

IUPAC(5-methylpyrazin-2-yl)-[3-[[2-(trifluoromethyl)-4-pyridinyl]oxy]azetidin-1-yl]methanone
SMILESCc1cnc(C(=O)N2CC(Oc3ccnc(C(F)(F)F)c3)C2)cn1
InChIInChI=1S/C15H13F3N4O2/c1-9-5-21-12(6-20-9)14(23)22-7-11(8-22)24-10-2-3-19-13(4-10)15(16,17)18/h2-6,11H,7-8H2,1H3
InChIKeyYECLHQUBZYAMCD-UHFFFAOYSA-N
MW338.29 g/mol
LogP2.10
Rot. Bonds3

About (5-methylpyrazin-2-yl)-[3-[[2-(trifluoromethyl)-4-pyridinyl]oxy]azetidin-1-yl]methanone

(5-methylpyrazin-2-yl)-[3-[[2-(trifluoromethyl)-4-pyridinyl]oxy]azetidin-1-yl]methanone (PubChem CID 163353329) has the molecular formula C15H13F3N4O2 and a molecular weight of 338.29 g/mol. Its IUPAC name is (5-methylpyrazin-2-yl)-[3-[[2-(trifluoromethyl)-4-pyridinyl]oxy]azetidin-1-yl]methanone.

Molecular Properties

Compound Name(5-methylpyrazin-2-yl)-[3-[[2-(trifluoromethyl)-4-pyridinyl]oxy]azetidin-1-yl]methanone
PubChem CID163353329
Molecular FormulaC15H13F3N4O2
Molecular Weight338.29 g/mol
Exact Mass338.10
IUPAC Name(5-methylpyrazin-2-yl)-[3-[[2-(trifluoromethyl)-4-pyridinyl]oxy]azetidin-1-yl]methanone
SMILESCc1cnc(C(=O)N2CC(Oc3ccnc(C(F)(F)F)c3)C2)cn1
InChIInChI=1S/C15H13F3N4O2/c1-9-5-21-12(6-20-9)14(23)22-7-11(8-22)24-10-2-3-19-13(4-10)15(16,17)18/h2-6,11H,7-8H2,1H3
InChIKeyYECLHQUBZYAMCD-UHFFFAOYSA-N
XLogP2.10
TPSA68.21 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.29
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[3-(3-ethylphenoxy)azetidin-1-yl]-(5-methylpyrazin-2-yl)methanone
CID 70730822
2-cyclopropyl-1-[3-[[2-(trifluoromethyl)-4-pyridinyl]oxy]azetidin-1-yl]ethanone
CID 139028611
1,3-benzothiazol-6-yl-[3-[[2-(trifluoromethyl)-4-pyridinyl]oxy]azetidin-1-yl]methanone
CID 146080704
2-(1H-indol-3-yl)-1-[3-[[2-(trifluoromethyl)-4-pyridinyl]oxy]azetidin-1-yl]ethanone
CID 146080741
(2R)-2-[4-[[2-(trifluoromethyl)-4-pyridinyl]oxy]cyclohexyl]propanoic acid
CID 175716062
ethyl 2-[4-[[2-(trifluoromethyl)-4-pyridinyl]oxy]cyclohexyl]propanoate
CID 121318815
N-(oxolan-2-ylmethyl)-3-[[2-(trifluoromethyl)-4-pyridinyl]oxy]azetidine-1-carboxamide
CID 139028928
3-[2-oxo-2-[3-[[2-(trifluoromethyl)-4-pyridinyl]oxy]azetidin-1-yl]ethyl]-1,3-benzoxazol-2-one
CID 139027827
(3,5-dimethylpiperidin-1-yl)-(5-methylpyrazin-2-yl)methanone
CID 42910146
(3,5-dimethylphenyl)-[3-[[4-(trifluoromethyl)-2-pyridinyl]oxy]azetidin-1-yl]methanone
CID 122251303
(6-cyclopentyloxy-3-pyridinyl)-[3-[(2-methyl-4-pyridinyl)oxy]azetidin-1-yl]methanone
CID 163353377
4-[1-(5-methylpyrazine-2-carbonyl)piperidin-4-yl]oxybenzaldehyde
CID 71514720

Frequently Asked Questions

What is the IUPAC name of (5-methylpyrazin-2-yl)-[3-[[2-(trifluoromethyl)-4-pyridinyl]oxy]azetidin-1-yl]methanone?
The IUPAC name of (5-methylpyrazin-2-yl)-[3-[[2-(trifluoromethyl)-4-pyridinyl]oxy]azetidin-1-yl]methanone (CID 163353329) is (5-methylpyrazin-2-yl)-[3-[[2-(trifluoromethyl)-4-pyridinyl]oxy]azetidin-1-yl]methanone.
What is the SMILES notation for (5-methylpyrazin-2-yl)-[3-[[2-(trifluoromethyl)-4-pyridinyl]oxy]azetidin-1-yl]methanone?
The canonical SMILES for (5-methylpyrazin-2-yl)-[3-[[2-(trifluoromethyl)-4-pyridinyl]oxy]azetidin-1-yl]methanone is Cc1cnc(C(=O)N2CC(Oc3ccnc(C(F)(F)F)c3)C2)cn1.
What is the InChIKey of (5-methylpyrazin-2-yl)-[3-[[2-(trifluoromethyl)-4-pyridinyl]oxy]azetidin-1-yl]methanone?
The InChIKey is YECLHQUBZYAMCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F3N4O2/c1-9-5-21-12(6-20-9)14(23)22-7-11(8-22)24-10-2-3-19-13(4-10)15(16,17)18/h2-6,11H,7-8H2,1H3.
What are the key properties of (5-methylpyrazin-2-yl)-[3-[[2-(trifluoromethyl)-4-pyridinyl]oxy]azetidin-1-yl]methanone?
(5-methylpyrazin-2-yl)-[3-[[2-(trifluoromethyl)-4-pyridinyl]oxy]azetidin-1-yl]methanone has a molecular weight of 338.29 g/mol, XLogP of 2.10, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methylpyrazin-2-yl)-[3-[[2-(trifluoromethyl)-4-pyridinyl]oxy]azetidin-1-yl]methanone is sourced from PubChem (CID 163353329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).