2-(4-fluorophenyl)-1-[(2S)-2-[4-[(2-fluorophenyl)methyl]-6-methyl-2-pyridinyl]morpholin-4-yl]ethanone

C25H24F2N2O2 — CID 125020266

IUPAC2-(4-fluorophenyl)-1-[(2S)-2-[4-[(2-fluorophenyl)methyl]-6-methyl-2-pyridinyl]morpholin-4-yl]ethanone
SMILESCc1cc(Cc2ccccc2F)cc([C@@H]2CN(C(=O)Cc3ccc(F)cc3)CCO2)n1
InChIInChI=1S/C25H24F2N2O2/c1-17-12-19(13-20-4-2-3-5-22(20)27)14-23(28-17)24-16-29(10-11-31-24)25(30)15-18-6-8-21(26)9-7-18/h2-9,12,14,24H,10-11,13,15-16H2,1H3/t24-/m0/s1
InChIKeyYBOUXHOUMODOKU-DEOSSOPVSA-N
MW422.48 g/mol
LogP4.40
Rot. Bonds5

About 2-(4-fluorophenyl)-1-[(2S)-2-[4-[(2-fluorophenyl)methyl]-6-methyl-2-pyridinyl]morpholin-4-yl]ethanone

2-(4-fluorophenyl)-1-[(2S)-2-[4-[(2-fluorophenyl)methyl]-6-methyl-2-pyridinyl]morpholin-4-yl]ethanone (PubChem CID 125020266) has the molecular formula C25H24F2N2O2 and a molecular weight of 422.48 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-1-[(2S)-2-[4-[(2-fluorophenyl)methyl]-6-methyl-2-pyridinyl]morpholin-4-yl]ethanone.

Molecular Properties

Compound Name2-(4-fluorophenyl)-1-[(2S)-2-[4-[(2-fluorophenyl)methyl]-6-methyl-2-pyridinyl]morpholin-4-yl]ethanone
PubChem CID125020266
Molecular FormulaC25H24F2N2O2
Molecular Weight422.48 g/mol
Exact Mass422.18
IUPAC Name2-(4-fluorophenyl)-1-[(2S)-2-[4-[(2-fluorophenyl)methyl]-6-methyl-2-pyridinyl]morpholin-4-yl]ethanone
SMILESCc1cc(Cc2ccccc2F)cc([C@@H]2CN(C(=O)Cc3ccc(F)cc3)CCO2)n1
InChIInChI=1S/C25H24F2N2O2/c1-17-12-19(13-20-4-2-3-5-22(20)27)14-23(28-17)24-16-29(10-11-31-24)25(30)15-18-6-8-21(26)9-7-18/h2-9,12,14,24H,10-11,13,15-16H2,1H3/t24-/m0/s1
InChIKeyYBOUXHOUMODOKU-DEOSSOPVSA-N
XLogP4.40
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.48
LogP ≤ 54.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-fluorophenyl)-1-[(2S)-2-[4-[(3-fluorophenyl)methyl]-6-methyl-2-pyridinyl]morpholin-4-yl]ethanone
CID 129454540
2-(4-fluorophenyl)-1-[2-[5-[(2-fluorophenyl)methyl]-2-pyridinyl]morpholin-4-yl]ethanone
CID 127250154
1-[2-[(2R)-2-[4-[(2-fluorophenyl)methyl]-6-methyl-2-pyridinyl]morpholin-4-yl]-2-oxoethyl]pyrrolidin-2-one
CID 124950641
[2-[4-[(2-fluorophenyl)methyl]-6-methyl-2-pyridinyl]morpholin-4-yl]-(5-methylpyrazolo[1,5-a]pyrimidin-7-yl)methanone
CID 127251578
1-[(2S)-2-[4-[(3-fluorophenyl)methyl]-6-methyl-2-pyridinyl]morpholin-4-yl]propan-1-one
CID 125007770
1-[(2R)-2-(2,6-dimethylpyrimidin-4-yl)morpholin-4-yl]-3-(2-fluorophenyl)propan-1-one
CID 125017373
1-[2-[2-[6-methyl-4-[(2-methylphenyl)methyl]-2-pyridinyl]morpholin-4-yl]-2-oxoethyl]azepan-2-one
CID 127251546
1-[2-(4-amino-6-methyl-2-pyridinyl)morpholin-4-yl]-2-(2-fluorophenoxy)ethanone
CID 110113412
2-(4-fluorophenyl)-1-[2-[3-(methylamino)pyrazin-2-yl]morpholin-4-yl]ethanone
CID 110112932
1-[(2S)-2-(4-fluorophenyl)morpholin-4-yl]-2-(2-methylphenyl)ethanone
CID 38372872
1-[(2S)-2-(2,6-dimethylpyrimidin-4-yl)morpholin-4-yl]-2-(2-fluorophenoxy)ethanone
CID 124984679
2-[(2S)-4-[3-(2-fluorophenyl)propanoyl]morpholin-2-yl]-4-methyl-1H-pyrimidin-6-one
CID 137169800

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-1-[(2S)-2-[4-[(2-fluorophenyl)methyl]-6-methyl-2-pyridinyl]morpholin-4-yl]ethanone?
The IUPAC name of 2-(4-fluorophenyl)-1-[(2S)-2-[4-[(2-fluorophenyl)methyl]-6-methyl-2-pyridinyl]morpholin-4-yl]ethanone (CID 125020266) is 2-(4-fluorophenyl)-1-[(2S)-2-[4-[(2-fluorophenyl)methyl]-6-methyl-2-pyridinyl]morpholin-4-yl]ethanone.
What is the SMILES notation for 2-(4-fluorophenyl)-1-[(2S)-2-[4-[(2-fluorophenyl)methyl]-6-methyl-2-pyridinyl]morpholin-4-yl]ethanone?
The canonical SMILES for 2-(4-fluorophenyl)-1-[(2S)-2-[4-[(2-fluorophenyl)methyl]-6-methyl-2-pyridinyl]morpholin-4-yl]ethanone is Cc1cc(Cc2ccccc2F)cc([C@@H]2CN(C(=O)Cc3ccc(F)cc3)CCO2)n1.
What is the InChIKey of 2-(4-fluorophenyl)-1-[(2S)-2-[4-[(2-fluorophenyl)methyl]-6-methyl-2-pyridinyl]morpholin-4-yl]ethanone?
The InChIKey is YBOUXHOUMODOKU-DEOSSOPVSA-N. The full InChI is InChI=1S/C25H24F2N2O2/c1-17-12-19(13-20-4-2-3-5-22(20)27)14-23(28-17)24-16-29(10-11-31-24)25(30)15-18-6-8-21(26)9-7-18/h2-9,12,14,24H,10-11,13,15-16H2,1H3/t24-/m0/s1.
What are the key properties of 2-(4-fluorophenyl)-1-[(2S)-2-[4-[(2-fluorophenyl)methyl]-6-methyl-2-pyridinyl]morpholin-4-yl]ethanone?
2-(4-fluorophenyl)-1-[(2S)-2-[4-[(2-fluorophenyl)methyl]-6-methyl-2-pyridinyl]morpholin-4-yl]ethanone has a molecular weight of 422.48 g/mol, XLogP of 4.40, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-1-[(2S)-2-[4-[(2-fluorophenyl)methyl]-6-methyl-2-pyridinyl]morpholin-4-yl]ethanone is sourced from PubChem (CID 125020266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).