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

C23H22F3N3O — CID 125001674

IUPAC(2S)-4-(pyridin-4-ylmethyl)-2-[6-[[2-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]morpholine
SMILESFC(F)(F)c1ccccc1Cc1cccc([C@@H]2CN(Cc3ccncc3)CCO2)n1
InChIInChI=1S/C23H22F3N3O/c24-23(25,26)20-6-2-1-4-18(20)14-19-5-3-7-21(28-19)22-16-29(12-13-30-22)15-17-8-10-27-11-9-17/h1-11,22H,12-16H2/t22-/m0/s1
InChIKeySFAXXYLCHFTGDH-QFIPXVFZSA-N
MW413.44 g/mol
LogP4.66
Rot. Bonds5

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

(2S)-4-(pyridin-4-ylmethyl)-2-[6-[[2-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]morpholine (PubChem CID 125001674) has the molecular formula C23H22F3N3O and a molecular weight of 413.44 g/mol. Its IUPAC name is (2S)-4-(pyridin-4-ylmethyl)-2-[6-[[2-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]morpholine.

Molecular Properties

Compound Name(2S)-4-(pyridin-4-ylmethyl)-2-[6-[[2-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]morpholine
PubChem CID125001674
Molecular FormulaC23H22F3N3O
Molecular Weight413.44 g/mol
Exact Mass413.17
IUPAC Name(2S)-4-(pyridin-4-ylmethyl)-2-[6-[[2-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]morpholine
SMILESFC(F)(F)c1ccccc1Cc1cccc([C@@H]2CN(Cc3ccncc3)CCO2)n1
InChIInChI=1S/C23H22F3N3O/c24-23(25,26)20-6-2-1-4-18(20)14-19-5-3-7-21(28-19)22-16-29(12-13-30-22)15-17-8-10-27-11-9-17/h1-11,22H,12-16H2/t22-/m0/s1
InChIKeySFAXXYLCHFTGDH-QFIPXVFZSA-N
XLogP4.66
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.44
LogP ≤ 54.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (2S)-4-(pyridin-4-ylmethyl)-2-[6-[[2-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]morpholine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2S)-4-(pyridin-4-ylmethyl)-2-[6-[[2-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]morpholine?
The IUPAC name of (2S)-4-(pyridin-4-ylmethyl)-2-[6-[[2-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]morpholine (CID 125001674) is (2S)-4-(pyridin-4-ylmethyl)-2-[6-[[2-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]morpholine.
What is the SMILES notation for (2S)-4-(pyridin-4-ylmethyl)-2-[6-[[2-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]morpholine?
The canonical SMILES for (2S)-4-(pyridin-4-ylmethyl)-2-[6-[[2-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]morpholine is FC(F)(F)c1ccccc1Cc1cccc([C@@H]2CN(Cc3ccncc3)CCO2)n1.
What is the InChIKey of (2S)-4-(pyridin-4-ylmethyl)-2-[6-[[2-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]morpholine?
The InChIKey is SFAXXYLCHFTGDH-QFIPXVFZSA-N. The full InChI is InChI=1S/C23H22F3N3O/c24-23(25,26)20-6-2-1-4-18(20)14-19-5-3-7-21(28-19)22-16-29(12-13-30-22)15-17-8-10-27-11-9-17/h1-11,22H,12-16H2/t22-/m0/s1.
What are the key properties of (2S)-4-(pyridin-4-ylmethyl)-2-[6-[[2-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]morpholine?
(2S)-4-(pyridin-4-ylmethyl)-2-[6-[[2-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]morpholine has a molecular weight of 413.44 g/mol, XLogP of 4.66, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-(pyridin-4-ylmethyl)-2-[6-[[2-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]morpholine is sourced from PubChem (CID 125001674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).