1-phenyl-3-[2-[(2,3,5-trifluoro-6-morpholin-4-yl-4-pyridinyl)oxy]phenyl]prop-2-en-1-one

C24H19F3N2O3 — CID 3630203

IUPAC1-phenyl-3-[2-[(2,3,5-trifluoro-6-morpholin-4-yl-4-pyridinyl)oxy]phenyl]prop-2-en-1-one
SMILESO=C(C=Cc1ccccc1Oc1c(F)c(F)nc(N2CCOCC2)c1F)c1ccccc1
InChIInChI=1S/C24H19F3N2O3/c25-20-22(21(26)24(28-23(20)27)29-12-14-31-15-13-29)32-19-9-5-4-8-17(19)10-11-18(30)16-6-2-1-3-7-16/h1-11H,12-15H2
InChIKeyPGZPXOLVWIKSEO-UHFFFAOYSA-N
MW440.42 g/mol
LogP5.02
Rot. Bonds6

About 1-phenyl-3-[2-[(2,3,5-trifluoro-6-morpholin-4-yl-4-pyridinyl)oxy]phenyl]prop-2-en-1-one

1-phenyl-3-[2-[(2,3,5-trifluoro-6-morpholin-4-yl-4-pyridinyl)oxy]phenyl]prop-2-en-1-one (PubChem CID 3630203) has the molecular formula C24H19F3N2O3 and a molecular weight of 440.42 g/mol. Its IUPAC name is 1-phenyl-3-[2-[(2,3,5-trifluoro-6-morpholin-4-yl-4-pyridinyl)oxy]phenyl]prop-2-en-1-one.

Molecular Properties

Compound Name1-phenyl-3-[2-[(2,3,5-trifluoro-6-morpholin-4-yl-4-pyridinyl)oxy]phenyl]prop-2-en-1-one
PubChem CID3630203
Molecular FormulaC24H19F3N2O3
Molecular Weight440.42 g/mol
Exact Mass440.13
IUPAC Name1-phenyl-3-[2-[(2,3,5-trifluoro-6-morpholin-4-yl-4-pyridinyl)oxy]phenyl]prop-2-en-1-one
SMILESO=C(C=Cc1ccccc1Oc1c(F)c(F)nc(N2CCOCC2)c1F)c1ccccc1
InChIInChI=1S/C24H19F3N2O3/c25-20-22(21(26)24(28-23(20)27)29-12-14-31-15-13-29)32-19-9-5-4-8-17(19)10-11-18(30)16-6-2-1-3-7-16/h1-11H,12-15H2
InChIKeyPGZPXOLVWIKSEO-UHFFFAOYSA-N
XLogP5.02
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.42
LogP ≤ 55.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze 1-phenyl-3-[2-[(2,3,5-trifluoro-6-morpholin-4-yl-4-pyridinyl)oxy]phenyl]prop-2-en-1-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

Methyl 2-[(2,3,5-trifluoro-6-morpholin-4-yl-4-pyridinyl)oxy]benzoate
CID 6620818
Ethyl 2-[2,3,5-trifluoro-6-(2-hydroxyethylamino)pyridin-4-yl]oxybenzoate
CID 6620823
Methyl 4-[(2,3,5-trifluoro-6-morpholin-4-ylpyridin-4-yl)oxy]benzoate
CID 2055301
2-((4-Fluoro-2-methylphenoxy)methyl)-6-morpholinoisonicotinamide
CID 44592171
Ethyl 2-[(4-fluoro-2-methylphenoxy)methyl]-6-morpholin-4-ylpyridine-4-carboxylate
CID 44592172
4-[3,5,6-Trifluoro-4-(4-methylphenoxy)-2-pyridinyl]morpholine
CID 3649932
6-{[3-Chloro-2,5-difluoro-6-(morpholin-4-YL)pyridin-4-YL]oxy}-4-phenyl-1,2,3,4-tetrahydronaphthalen-1-one
CID 6620849
4-(2,3-Difluorobenzoyl)-7-{[4-(2-pyridinyl)-1-piperazinyl]methyl}-2,3,4,5-tetrahydro-1,4-benzoxazepine
CID 29149708
Methyl 2-{[2,3,5-trifluoro-6-(piperidin-1-YL)pyridin-4-YL]oxy}benzoate
CID 45105931
[5-(4-Ethoxyphenyl)-2-[methyl(propyl)amino]-3-pyridinyl]-(4-fluorophenyl)methanone
CID 72712020
Methyl 4-{[2,3,5-trifluoro-6-(piperidin-1-YL)pyridin-4-YL]oxy}benzoate
CID 46499619
Ethyl 2-{[2,3,5-trifluoro-6-(piperidin-1-yl)pyridin-4-yl]oxy}benzoate
CID 15993466

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-3-[2-[(2,3,5-trifluoro-6-morpholin-4-yl-4-pyridinyl)oxy]phenyl]prop-2-en-1-one?
The IUPAC name of 1-phenyl-3-[2-[(2,3,5-trifluoro-6-morpholin-4-yl-4-pyridinyl)oxy]phenyl]prop-2-en-1-one (CID 3630203) is 1-phenyl-3-[2-[(2,3,5-trifluoro-6-morpholin-4-yl-4-pyridinyl)oxy]phenyl]prop-2-en-1-one.
What is the SMILES notation for 1-phenyl-3-[2-[(2,3,5-trifluoro-6-morpholin-4-yl-4-pyridinyl)oxy]phenyl]prop-2-en-1-one?
The canonical SMILES for 1-phenyl-3-[2-[(2,3,5-trifluoro-6-morpholin-4-yl-4-pyridinyl)oxy]phenyl]prop-2-en-1-one is O=C(C=Cc1ccccc1Oc1c(F)c(F)nc(N2CCOCC2)c1F)c1ccccc1.
What is the InChIKey of 1-phenyl-3-[2-[(2,3,5-trifluoro-6-morpholin-4-yl-4-pyridinyl)oxy]phenyl]prop-2-en-1-one?
The InChIKey is PGZPXOLVWIKSEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19F3N2O3/c25-20-22(21(26)24(28-23(20)27)29-12-14-31-15-13-29)32-19-9-5-4-8-17(19)10-11-18(30)16-6-2-1-3-7-16/h1-11H,12-15H2.
What are the key properties of 1-phenyl-3-[2-[(2,3,5-trifluoro-6-morpholin-4-yl-4-pyridinyl)oxy]phenyl]prop-2-en-1-one?
1-phenyl-3-[2-[(2,3,5-trifluoro-6-morpholin-4-yl-4-pyridinyl)oxy]phenyl]prop-2-en-1-one has a molecular weight of 440.42 g/mol, XLogP of 5.02, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-3-[2-[(2,3,5-trifluoro-6-morpholin-4-yl-4-pyridinyl)oxy]phenyl]prop-2-en-1-one is sourced from PubChem (CID 3630203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).