(4R)-4-[4-[1-[2-(trifluoromethyl)-4-pyridinyl]azetidin-3-yl]oxyphenyl]pentan-2-one

C20H21F3N2O2 — CID 157482261

IUPAC(4R)-4-[4-[1-[2-(trifluoromethyl)-4-pyridinyl]azetidin-3-yl]oxyphenyl]pentan-2-one
SMILESCC(=O)C[C@@H](C)c1ccc(OC2CN(c3ccnc(C(F)(F)F)c3)C2)cc1
InChIInChI=1S/C20H21F3N2O2/c1-13(9-14(2)26)15-3-5-17(6-4-15)27-18-11-25(12-18)16-7-8-24-19(10-16)20(21,22)23/h3-8,10,13,18H,9,11-12H2,1-2H3/t13-/m1/s1
InChIKeyBWHHLRXRWURWIM-CYBMUJFWSA-N
MW378.39 g/mol
LogP4.45
Rot. Bonds6

About (4R)-4-[4-[1-[2-(trifluoromethyl)-4-pyridinyl]azetidin-3-yl]oxyphenyl]pentan-2-one

(4R)-4-[4-[1-[2-(trifluoromethyl)-4-pyridinyl]azetidin-3-yl]oxyphenyl]pentan-2-one (PubChem CID 157482261) has the molecular formula C20H21F3N2O2 and a molecular weight of 378.39 g/mol. Its IUPAC name is (4R)-4-[4-[1-[2-(trifluoromethyl)-4-pyridinyl]azetidin-3-yl]oxyphenyl]pentan-2-one.

Molecular Properties

Compound Name(4R)-4-[4-[1-[2-(trifluoromethyl)-4-pyridinyl]azetidin-3-yl]oxyphenyl]pentan-2-one
PubChem CID157482261
Molecular FormulaC20H21F3N2O2
Molecular Weight378.39 g/mol
Exact Mass378.16
IUPAC Name(4R)-4-[4-[1-[2-(trifluoromethyl)-4-pyridinyl]azetidin-3-yl]oxyphenyl]pentan-2-one
SMILESCC(=O)C[C@@H](C)c1ccc(OC2CN(c3ccnc(C(F)(F)F)c3)C2)cc1
InChIInChI=1S/C20H21F3N2O2/c1-13(9-14(2)26)15-3-5-17(6-4-15)27-18-11-25(12-18)16-7-8-24-19(10-16)20(21,22)23/h3-8,10,13,18H,9,11-12H2,1-2H3/t13-/m1/s1
InChIKeyBWHHLRXRWURWIM-CYBMUJFWSA-N
XLogP4.45
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.39
LogP ≤ 54.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (4R)-4-[4-[1-[2-(trifluoromethyl)-4-pyridinyl]azetidin-3-yl]oxyphenyl]pentan-2-one 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

US10155760, Example 45
CID 118419778
US10155760, Example 37
CID 118420200
US10155760, Example 50
CID 118429668
US10155760, Example 35
CID 118429827
2-(4-Isopropyl-phenoxy)-N-pyridin-4-yl-acetamide
CID 798146
Diethyl-(2-{4-[5-(4-methoxy-phenyl)-pyridin-2-ylethynyl]-phenoxy}-ethyl)-amine
CID 59835766
(3R,4R)-3-phenoxy-4-phenyl-1-pyridin-4-ylazetidin-2-one
CID 44825475
N,N-diethyl-2-[4-[(Z)-2-[5-(4-methoxyphenyl)-2-pyridinyl]ethenyl]phenoxy]ethanamine
CID 122184567
N,N-diethyl-2-[4-[(E)-2-[5-(4-methoxyphenyl)-2-pyridinyl]ethenyl]phenoxy]ethanamine
CID 122184568
N,N-diethyl-2-[4-[2-[5-(4-methoxyphenyl)-2-pyridinyl]ethyl]phenoxy]ethanamine
CID 122184569
2-[4-[(3R)-1-(2-butoxy-4-pyridinyl)pyrrolidin-3-yl]oxyphenyl]-N-ethylpropanamide
CID 117710966
2-[4-[(3R)-1-(2-ethoxy-4-pyridinyl)pyrrolidin-3-yl]oxyphenyl]-N-ethylpropanamide
CID 117710969

Frequently Asked Questions

What is the IUPAC name of (4R)-4-[4-[1-[2-(trifluoromethyl)-4-pyridinyl]azetidin-3-yl]oxyphenyl]pentan-2-one?
The IUPAC name of (4R)-4-[4-[1-[2-(trifluoromethyl)-4-pyridinyl]azetidin-3-yl]oxyphenyl]pentan-2-one (CID 157482261) is (4R)-4-[4-[1-[2-(trifluoromethyl)-4-pyridinyl]azetidin-3-yl]oxyphenyl]pentan-2-one.
What is the SMILES notation for (4R)-4-[4-[1-[2-(trifluoromethyl)-4-pyridinyl]azetidin-3-yl]oxyphenyl]pentan-2-one?
The canonical SMILES for (4R)-4-[4-[1-[2-(trifluoromethyl)-4-pyridinyl]azetidin-3-yl]oxyphenyl]pentan-2-one is CC(=O)C[C@@H](C)c1ccc(OC2CN(c3ccnc(C(F)(F)F)c3)C2)cc1.
What is the InChIKey of (4R)-4-[4-[1-[2-(trifluoromethyl)-4-pyridinyl]azetidin-3-yl]oxyphenyl]pentan-2-one?
The InChIKey is BWHHLRXRWURWIM-CYBMUJFWSA-N. The full InChI is InChI=1S/C20H21F3N2O2/c1-13(9-14(2)26)15-3-5-17(6-4-15)27-18-11-25(12-18)16-7-8-24-19(10-16)20(21,22)23/h3-8,10,13,18H,9,11-12H2,1-2H3/t13-/m1/s1.
What are the key properties of (4R)-4-[4-[1-[2-(trifluoromethyl)-4-pyridinyl]azetidin-3-yl]oxyphenyl]pentan-2-one?
(4R)-4-[4-[1-[2-(trifluoromethyl)-4-pyridinyl]azetidin-3-yl]oxyphenyl]pentan-2-one has a molecular weight of 378.39 g/mol, XLogP of 4.45, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-[4-[1-[2-(trifluoromethyl)-4-pyridinyl]azetidin-3-yl]oxyphenyl]pentan-2-one is sourced from PubChem (CID 157482261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).