(1R,2S)-1-[2-[4-chloro-3-(trifluoromethyl)phenyl]-3-pyridinyl]-2-morpholin-4-yl-2-pyridin-3-ylethanol

C23H21ClF3N3O2 — CID 23585629

IUPAC(1R,2S)-1-[2-[4-chloro-3-(trifluoromethyl)phenyl]-3-pyridinyl]-2-morpholin-4-yl-2-pyridin-3-ylethanol
SMILESO[C@H](c1cccnc1-c1ccc(Cl)c(C(F)(F)F)c1)[C@H](c1cccnc1)N1CCOCC1
InChIInChI=1S/C23H21ClF3N3O2/c24-19-6-5-15(13-18(19)23(25,26)27)20-17(4-2-8-29-20)22(31)21(16-3-1-7-28-14-16)30-9-11-32-12-10-30/h1-8,13-14,21-22,31H,9-12H2/t21-,22+/m0/s1
InChIKeyODAYAXZSDGVYGL-FCHUYYIVSA-N
MW463.89 g/mol
LogP4.92
Rot. Bonds5

About (1R,2S)-1-[2-[4-chloro-3-(trifluoromethyl)phenyl]-3-pyridinyl]-2-morpholin-4-yl-2-pyridin-3-ylethanol

(1R,2S)-1-[2-[4-chloro-3-(trifluoromethyl)phenyl]-3-pyridinyl]-2-morpholin-4-yl-2-pyridin-3-ylethanol (PubChem CID 23585629) has the molecular formula C23H21ClF3N3O2 and a molecular weight of 463.89 g/mol. Its IUPAC name is (1R,2S)-1-[2-[4-chloro-3-(trifluoromethyl)phenyl]-3-pyridinyl]-2-morpholin-4-yl-2-pyridin-3-ylethanol.

Molecular Properties

Compound Name(1R,2S)-1-[2-[4-chloro-3-(trifluoromethyl)phenyl]-3-pyridinyl]-2-morpholin-4-yl-2-pyridin-3-ylethanol
PubChem CID23585629
Molecular FormulaC23H21ClF3N3O2
Molecular Weight463.89 g/mol
Exact Mass463.13
IUPAC Name(1R,2S)-1-[2-[4-chloro-3-(trifluoromethyl)phenyl]-3-pyridinyl]-2-morpholin-4-yl-2-pyridin-3-ylethanol
SMILESO[C@H](c1cccnc1-c1ccc(Cl)c(C(F)(F)F)c1)[C@H](c1cccnc1)N1CCOCC1
InChIInChI=1S/C23H21ClF3N3O2/c24-19-6-5-15(13-18(19)23(25,26)27)20-17(4-2-8-29-20)22(31)21(16-3-1-7-28-14-16)30-9-11-32-12-10-30/h1-8,13-14,21-22,31H,9-12H2/t21-,22+/m0/s1
InChIKeyODAYAXZSDGVYGL-FCHUYYIVSA-N
XLogP4.92
TPSA58.48 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.89
LogP ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (1R,2S)-1-[2-[4-chloro-3-(trifluoromethyl)phenyl]-3-pyridinyl]-2-morpholin-4-yl-2-pyridin-3-ylethanol 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 (1R,2S)-1-[2-[4-chloro-3-(trifluoromethyl)phenyl]-3-pyridinyl]-2-morpholin-4-yl-2-pyridin-3-ylethanol?
The IUPAC name of (1R,2S)-1-[2-[4-chloro-3-(trifluoromethyl)phenyl]-3-pyridinyl]-2-morpholin-4-yl-2-pyridin-3-ylethanol (CID 23585629) is (1R,2S)-1-[2-[4-chloro-3-(trifluoromethyl)phenyl]-3-pyridinyl]-2-morpholin-4-yl-2-pyridin-3-ylethanol.
What is the SMILES notation for (1R,2S)-1-[2-[4-chloro-3-(trifluoromethyl)phenyl]-3-pyridinyl]-2-morpholin-4-yl-2-pyridin-3-ylethanol?
The canonical SMILES for (1R,2S)-1-[2-[4-chloro-3-(trifluoromethyl)phenyl]-3-pyridinyl]-2-morpholin-4-yl-2-pyridin-3-ylethanol is O[C@H](c1cccnc1-c1ccc(Cl)c(C(F)(F)F)c1)[C@H](c1cccnc1)N1CCOCC1.
What is the InChIKey of (1R,2S)-1-[2-[4-chloro-3-(trifluoromethyl)phenyl]-3-pyridinyl]-2-morpholin-4-yl-2-pyridin-3-ylethanol?
The InChIKey is ODAYAXZSDGVYGL-FCHUYYIVSA-N. The full InChI is InChI=1S/C23H21ClF3N3O2/c24-19-6-5-15(13-18(19)23(25,26)27)20-17(4-2-8-29-20)22(31)21(16-3-1-7-28-14-16)30-9-11-32-12-10-30/h1-8,13-14,21-22,31H,9-12H2/t21-,22+/m0/s1.
What are the key properties of (1R,2S)-1-[2-[4-chloro-3-(trifluoromethyl)phenyl]-3-pyridinyl]-2-morpholin-4-yl-2-pyridin-3-ylethanol?
(1R,2S)-1-[2-[4-chloro-3-(trifluoromethyl)phenyl]-3-pyridinyl]-2-morpholin-4-yl-2-pyridin-3-ylethanol has a molecular weight of 463.89 g/mol, XLogP of 4.92, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S)-1-[2-[4-chloro-3-(trifluoromethyl)phenyl]-3-pyridinyl]-2-morpholin-4-yl-2-pyridin-3-ylethanol is sourced from PubChem (CID 23585629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).