[(2S)-2-[6-methyl-4-[[3-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]morpholin-4-yl]-pyridin-3-ylmethanone

C24H22F3N3O2 — CID 125015825

IUPAC[(2S)-2-[6-methyl-4-[[3-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]morpholin-4-yl]-pyridin-3-ylmethanone
SMILESCc1cc(Cc2cccc(C(F)(F)F)c2)cc([C@@H]2CN(C(=O)c3cccnc3)CCO2)n1
InChIInChI=1S/C24H22F3N3O2/c1-16-10-18(11-17-4-2-6-20(12-17)24(25,26)27)13-21(29-16)22-15-30(8-9-32-22)23(31)19-5-3-7-28-14-19/h2-7,10,12-14,22H,8-9,11,15H2,1H3/t22-/m0/s1
InChIKeyWWKIFLJNSDAVIK-QFIPXVFZSA-N
MW441.45 g/mol
LogP4.61
Rot. Bonds4

About [(2S)-2-[6-methyl-4-[[3-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]morpholin-4-yl]-pyridin-3-ylmethanone

[(2S)-2-[6-methyl-4-[[3-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]morpholin-4-yl]-pyridin-3-ylmethanone (PubChem CID 125015825) has the molecular formula C24H22F3N3O2 and a molecular weight of 441.45 g/mol. Its IUPAC name is [(2S)-2-[6-methyl-4-[[3-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]morpholin-4-yl]-pyridin-3-ylmethanone.

Molecular Properties

Compound Name[(2S)-2-[6-methyl-4-[[3-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]morpholin-4-yl]-pyridin-3-ylmethanone
PubChem CID125015825
Molecular FormulaC24H22F3N3O2
Molecular Weight441.45 g/mol
Exact Mass441.17
IUPAC Name[(2S)-2-[6-methyl-4-[[3-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]morpholin-4-yl]-pyridin-3-ylmethanone
SMILESCc1cc(Cc2cccc(C(F)(F)F)c2)cc([C@@H]2CN(C(=O)c3cccnc3)CCO2)n1
InChIInChI=1S/C24H22F3N3O2/c1-16-10-18(11-17-4-2-6-20(12-17)24(25,26)27)13-21(29-16)22-15-30(8-9-32-22)23(31)19-5-3-7-28-14-19/h2-7,10,12-14,22H,8-9,11,15H2,1H3/t22-/m0/s1
InChIKeyWWKIFLJNSDAVIK-QFIPXVFZSA-N
XLogP4.61
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.45
LogP ≤ 54.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [(2S)-2-[6-methyl-4-[[3-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]morpholin-4-yl]-pyridin-3-ylmethanone with MolForge

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Launch Full Analysis

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
[(3R)-3-[6-methyl-4-[[3-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]piperidin-1-yl]-pyridin-3-ylmethanone
CID 95816332
[(2R)-2-(2,6-dimethylpyrimidin-4-yl)morpholin-4-yl]-pyridin-3-ylmethanone
CID 124948273
(2R)-2-[6-methyl-4-[[3-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]-4-(pyridin-4-ylmethyl)morpholine
CID 124993881
[2-[4-[(3-fluorophenyl)methyl]-6-methyl-2-pyridinyl]morpholin-4-yl]-(5-methylpyrazolo[1,5-a]pyrimidin-7-yl)methanone
CID 127251579
[2-[4-[(3-fluorophenyl)methyl]-6-methyl-2-pyridinyl]morpholin-4-yl]-(5-methylpyrazin-2-yl)methanone
CID 127251451
1-[(2S)-2-[4-[(3-fluorophenyl)methyl]-6-methyl-2-pyridinyl]morpholin-4-yl]propan-1-one
CID 125007770
[2-[4-[(3-methoxyphenyl)methyl]-6-methyl-2-pyridinyl]morpholin-4-yl]-pyridin-2-ylmethanone
CID 127251425
[(3S)-3-[4-[(4-fluorophenyl)methyl]-6-methyl-2-pyridinyl]piperidin-1-yl]-pyridin-3-ylmethanone
CID 95816331
(1-ethylpyrazol-4-yl)-[(2R)-2-[3-[[3-(trifluoromethyl)phenyl]methyl]-1,2,4-oxadiazol-5-yl]morpholin-4-yl]methanone
CID 92590071
2-(4-fluorophenyl)-1-[(2S)-2-[4-[(3-fluorophenyl)methyl]-6-methyl-2-pyridinyl]morpholin-4-yl]ethanone
CID 129454540

Frequently Asked Questions

What is the IUPAC name of [(2S)-2-[6-methyl-4-[[3-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]morpholin-4-yl]-pyridin-3-ylmethanone?
The IUPAC name of [(2S)-2-[6-methyl-4-[[3-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]morpholin-4-yl]-pyridin-3-ylmethanone (CID 125015825) is [(2S)-2-[6-methyl-4-[[3-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]morpholin-4-yl]-pyridin-3-ylmethanone.
What is the SMILES notation for [(2S)-2-[6-methyl-4-[[3-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]morpholin-4-yl]-pyridin-3-ylmethanone?
The canonical SMILES for [(2S)-2-[6-methyl-4-[[3-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]morpholin-4-yl]-pyridin-3-ylmethanone is Cc1cc(Cc2cccc(C(F)(F)F)c2)cc([C@@H]2CN(C(=O)c3cccnc3)CCO2)n1.
What is the InChIKey of [(2S)-2-[6-methyl-4-[[3-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]morpholin-4-yl]-pyridin-3-ylmethanone?
The InChIKey is WWKIFLJNSDAVIK-QFIPXVFZSA-N. The full InChI is InChI=1S/C24H22F3N3O2/c1-16-10-18(11-17-4-2-6-20(12-17)24(25,26)27)13-21(29-16)22-15-30(8-9-32-22)23(31)19-5-3-7-28-14-19/h2-7,10,12-14,22H,8-9,11,15H2,1H3/t22-/m0/s1.
What are the key properties of [(2S)-2-[6-methyl-4-[[3-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]morpholin-4-yl]-pyridin-3-ylmethanone?
[(2S)-2-[6-methyl-4-[[3-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]morpholin-4-yl]-pyridin-3-ylmethanone has a molecular weight of 441.45 g/mol, XLogP of 4.61, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-2-[6-methyl-4-[[3-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]morpholin-4-yl]-pyridin-3-ylmethanone is sourced from PubChem (CID 125015825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).