(4S)-1-(6-morpholin-4-yl-3-pyridinyl)-4-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]pentan-2-one

C21H24F3N3O3 — CID 58255308

IUPAC(4S)-1-(6-morpholin-4-yl-3-pyridinyl)-4-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]pentan-2-one
SMILESC[C@@H](CC(=O)Cc1ccc(N2CCOCC2)nc1)c1ccc(OCC(F)(F)F)cn1
InChIInChI=1S/C21H24F3N3O3/c1-15(19-4-3-18(13-25-19)30-14-21(22,23)24)10-17(28)11-16-2-5-20(26-12-16)27-6-8-29-9-7-27/h2-5,12-13,15H,6-11,14H2,1H3/t15-/m0/s1
InChIKeyWUWDJBFSZNGWHM-HNNXBMFYSA-N
MW423.44 g/mol
LogP3.56
Rot. Bonds8

About (4S)-1-(6-morpholin-4-yl-3-pyridinyl)-4-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]pentan-2-one

(4S)-1-(6-morpholin-4-yl-3-pyridinyl)-4-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]pentan-2-one (PubChem CID 58255308) has the molecular formula C21H24F3N3O3 and a molecular weight of 423.44 g/mol. Its IUPAC name is (4S)-1-(6-morpholin-4-yl-3-pyridinyl)-4-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]pentan-2-one.

Molecular Properties

Compound Name(4S)-1-(6-morpholin-4-yl-3-pyridinyl)-4-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]pentan-2-one
PubChem CID58255308
Molecular FormulaC21H24F3N3O3
Molecular Weight423.44 g/mol
Exact Mass423.18
IUPAC Name(4S)-1-(6-morpholin-4-yl-3-pyridinyl)-4-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]pentan-2-one
SMILESC[C@@H](CC(=O)Cc1ccc(N2CCOCC2)nc1)c1ccc(OCC(F)(F)F)cn1
InChIInChI=1S/C21H24F3N3O3/c1-15(19-4-3-18(13-25-19)30-14-21(22,23)24)10-17(28)11-16-2-5-20(26-12-16)27-6-8-29-9-7-27/h2-5,12-13,15H,6-11,14H2,1H3/t15-/m0/s1
InChIKeyWUWDJBFSZNGWHM-HNNXBMFYSA-N
XLogP3.56
TPSA64.55 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.44
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze (4S)-1-(6-morpholin-4-yl-3-pyridinyl)-4-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]pentan-2-one with MolForge

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

Launch Full Analysis

Related Compounds

US10155760, Example 117
CID 118429768
US10155760, Example 120
CID 118429774
Aak1-IN-4
CID 118429891
US10155760, Example 146
CID 118429917
5'-ethoxy-N-(6-methylpyridin-2-yl)-2,3'-bipyridin-6'-amine
CID 11220495
(5-Ethoxy-[3,3'']bipyridinyl-6-yl)-(6-methyl-pyridin-2-yl)-amine
CID 11232032
[3-Ethoxy-5-(3-fluoro-phenyl)-pyridin-2-yl]-(6-methyl-pyridin-2-yl)-amine
CID 11267265
(5-Ethoxy-4''-methyl-[3,3'']bipyridinyl-6-yl)-(6-methyl-pyridin-2-yl)-amine
CID 11347767
(3-Benzyloxy-pyridin-2-yl)-(6-methyl-pyridin-2-yl)-amine
CID 11369816
(2-aminopyridin-3-yl)-[6-[(3S)-3-(2-methylpropyl)piperazin-1-yl]-3-(2,2,2-trifluoroethoxy)pyridin-2-yl]methanone
CID 24994728
(2-aminopyridin-3-yl)-[3-(difluoromethoxy)-6-[(3S)-3-(2-methylpropyl)piperazin-1-yl]pyridin-2-yl]methanone
CID 57690531
(2R)-2-[1-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]-5-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-2,3-dihydrofuro[2,3-c]pyridine
CID 71208589

Frequently Asked Questions

What is the IUPAC name of (4S)-1-(6-morpholin-4-yl-3-pyridinyl)-4-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]pentan-2-one?
The IUPAC name of (4S)-1-(6-morpholin-4-yl-3-pyridinyl)-4-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]pentan-2-one (CID 58255308) is (4S)-1-(6-morpholin-4-yl-3-pyridinyl)-4-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]pentan-2-one.
What is the SMILES notation for (4S)-1-(6-morpholin-4-yl-3-pyridinyl)-4-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]pentan-2-one?
The canonical SMILES for (4S)-1-(6-morpholin-4-yl-3-pyridinyl)-4-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]pentan-2-one is C[C@@H](CC(=O)Cc1ccc(N2CCOCC2)nc1)c1ccc(OCC(F)(F)F)cn1.
What is the InChIKey of (4S)-1-(6-morpholin-4-yl-3-pyridinyl)-4-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]pentan-2-one?
The InChIKey is WUWDJBFSZNGWHM-HNNXBMFYSA-N. The full InChI is InChI=1S/C21H24F3N3O3/c1-15(19-4-3-18(13-25-19)30-14-21(22,23)24)10-17(28)11-16-2-5-20(26-12-16)27-6-8-29-9-7-27/h2-5,12-13,15H,6-11,14H2,1H3/t15-/m0/s1.
What are the key properties of (4S)-1-(6-morpholin-4-yl-3-pyridinyl)-4-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]pentan-2-one?
(4S)-1-(6-morpholin-4-yl-3-pyridinyl)-4-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]pentan-2-one has a molecular weight of 423.44 g/mol, XLogP of 3.56, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-1-(6-morpholin-4-yl-3-pyridinyl)-4-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]pentan-2-one is sourced from PubChem (CID 58255308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).