(2R)-2-[6-methyl-4-[[3-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]-4-(pyridin-4-ylmethyl)morpholine

C24H24F3N3O — CID 124993881

IUPAC(2R)-2-[6-methyl-4-[[3-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]-4-(pyridin-4-ylmethyl)morpholine
SMILESCc1cc(Cc2cccc(C(F)(F)F)c2)cc([C@H]2CN(Cc3ccncc3)CCO2)n1
InChIInChI=1S/C24H24F3N3O/c1-17-11-20(12-19-3-2-4-21(13-19)24(25,26)27)14-22(29-17)23-16-30(9-10-31-23)15-18-5-7-28-8-6-18/h2-8,11,13-14,23H,9-10,12,15-16H2,1H3/t23-/m1/s1
InChIKeyQAXJDKQNCMFACW-HSZRJFAPSA-N
MW427.47 g/mol
LogP4.97
Rot. Bonds5

About (2R)-2-[6-methyl-4-[[3-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]-4-(pyridin-4-ylmethyl)morpholine

(2R)-2-[6-methyl-4-[[3-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]-4-(pyridin-4-ylmethyl)morpholine (PubChem CID 124993881) has the molecular formula C24H24F3N3O and a molecular weight of 427.47 g/mol. Its IUPAC name is (2R)-2-[6-methyl-4-[[3-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]-4-(pyridin-4-ylmethyl)morpholine.

Molecular Properties

Compound Name(2R)-2-[6-methyl-4-[[3-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]-4-(pyridin-4-ylmethyl)morpholine
PubChem CID124993881
Molecular FormulaC24H24F3N3O
Molecular Weight427.47 g/mol
Exact Mass427.19
IUPAC Name(2R)-2-[6-methyl-4-[[3-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]-4-(pyridin-4-ylmethyl)morpholine
SMILESCc1cc(Cc2cccc(C(F)(F)F)c2)cc([C@H]2CN(Cc3ccncc3)CCO2)n1
InChIInChI=1S/C24H24F3N3O/c1-17-11-20(12-19-3-2-4-21(13-19)24(25,26)27)14-22(29-17)23-16-30(9-10-31-23)15-18-5-7-28-8-6-18/h2-8,11,13-14,23H,9-10,12,15-16H2,1H3/t23-/m1/s1
InChIKeyQAXJDKQNCMFACW-HSZRJFAPSA-N
XLogP4.97
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.47
LogP ≤ 54.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[(2S)-2-[6-methyl-4-[[3-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]morpholin-4-yl]-pyridin-4-ylmethanone
CID 124985047
[(2R)-2-[6-methyl-4-[[3-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]morpholin-4-yl]-pyridin-4-ylmethanone
CID 124985046
[(2S)-2-[6-methyl-4-[[3-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]morpholin-4-yl]-pyridin-3-ylmethanone
CID 125015825
N-methyl-3-[[(2R)-2-[5-[[3-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]morpholin-4-yl]methyl]pyridin-2-amine
CID 124988807
(2R)-2-(3-methylbenzimidazol-5-yl)-4-[[3-(trifluoromethyl)phenyl]methyl]morpholine
CID 178059966
(2S)-2-(4-benzyl-6-methyl-2-pyridinyl)-4-[[2-(2-methoxyethyl)pyrimidin-5-yl]methyl]morpholine
CID 124988726
(2S)-4-[(6-methyl-2-pyridinyl)methyl]-2-[[3-(trifluoromethyl)phenyl]methyl]morpholine
CID 28732920
(2S)-2-[6-methyl-4-[(2-methylphenyl)methyl]-2-pyridinyl]-4-[(1-methylpyrazol-4-yl)methyl]morpholine
CID 124949780
2-[(2S)-2-[4-[(3-fluorophenyl)methyl]-6-methyl-2-pyridinyl]morpholin-4-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 124981031
(2S)-2-(5-methyl-1,2,4-oxadiazol-3-yl)-4-[[4-(trifluoromethyl)phenyl]methyl]morpholine
CID 97316076
5-[(3S)-1-(pyridin-4-ylmethyl)pyrrolidin-3-yl]-3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole
CID 95830092
[(3R)-3-[6-methyl-4-[[3-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]piperidin-1-yl]-pyridin-3-ylmethanone
CID 95816332

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[6-methyl-4-[[3-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]-4-(pyridin-4-ylmethyl)morpholine?
The IUPAC name of (2R)-2-[6-methyl-4-[[3-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]-4-(pyridin-4-ylmethyl)morpholine (CID 124993881) is (2R)-2-[6-methyl-4-[[3-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]-4-(pyridin-4-ylmethyl)morpholine.
What is the SMILES notation for (2R)-2-[6-methyl-4-[[3-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]-4-(pyridin-4-ylmethyl)morpholine?
The canonical SMILES for (2R)-2-[6-methyl-4-[[3-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]-4-(pyridin-4-ylmethyl)morpholine is Cc1cc(Cc2cccc(C(F)(F)F)c2)cc([C@H]2CN(Cc3ccncc3)CCO2)n1.
What is the InChIKey of (2R)-2-[6-methyl-4-[[3-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]-4-(pyridin-4-ylmethyl)morpholine?
The InChIKey is QAXJDKQNCMFACW-HSZRJFAPSA-N. The full InChI is InChI=1S/C24H24F3N3O/c1-17-11-20(12-19-3-2-4-21(13-19)24(25,26)27)14-22(29-17)23-16-30(9-10-31-23)15-18-5-7-28-8-6-18/h2-8,11,13-14,23H,9-10,12,15-16H2,1H3/t23-/m1/s1.
What are the key properties of (2R)-2-[6-methyl-4-[[3-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]-4-(pyridin-4-ylmethyl)morpholine?
(2R)-2-[6-methyl-4-[[3-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]-4-(pyridin-4-ylmethyl)morpholine has a molecular weight of 427.47 g/mol, XLogP of 4.97, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[6-methyl-4-[[3-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]-4-(pyridin-4-ylmethyl)morpholine is sourced from PubChem (CID 124993881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).