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

C21H23F4N3O3 — CID 58255239

IUPAC(4S)-1-(5-fluoro-6-morpholin-4-yl-3-pyridinyl)-4-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]pentan-2-one
SMILESC[C@@H](CC(=O)Cc1cnc(N2CCOCC2)c(F)c1)c1ccc(OCC(F)(F)F)cn1
InChIInChI=1S/C21H23F4N3O3/c1-14(19-3-2-17(12-26-19)31-13-21(23,24)25)8-16(29)9-15-10-18(22)20(27-11-15)28-4-6-30-7-5-28/h2-3,10-12,14H,4-9,13H2,1H3/t14-/m0/s1
InChIKeyWRWBRSVOWKJBIO-AWEZNQCLSA-N
MW441.43 g/mol
LogP3.70
Rot. Bonds8

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

(4S)-1-(5-fluoro-6-morpholin-4-yl-3-pyridinyl)-4-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]pentan-2-one (PubChem CID 58255239) has the molecular formula C21H23F4N3O3 and a molecular weight of 441.43 g/mol. Its IUPAC name is (4S)-1-(5-fluoro-6-morpholin-4-yl-3-pyridinyl)-4-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]pentan-2-one.

Molecular Properties

Compound Name(4S)-1-(5-fluoro-6-morpholin-4-yl-3-pyridinyl)-4-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]pentan-2-one
PubChem CID58255239
Molecular FormulaC21H23F4N3O3
Molecular Weight441.43 g/mol
Exact Mass441.17
IUPAC Name(4S)-1-(5-fluoro-6-morpholin-4-yl-3-pyridinyl)-4-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]pentan-2-one
SMILESC[C@@H](CC(=O)Cc1cnc(N2CCOCC2)c(F)c1)c1ccc(OCC(F)(F)F)cn1
InChIInChI=1S/C21H23F4N3O3/c1-14(19-3-2-17(12-26-19)31-13-21(23,24)25)8-16(29)9-15-10-18(22)20(27-11-15)28-4-6-30-7-5-28/h2-3,10-12,14H,4-9,13H2,1H3/t14-/m0/s1
InChIKeyWRWBRSVOWKJBIO-AWEZNQCLSA-N
XLogP3.70
TPSA64.55 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.43
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze (4S)-1-(5-fluoro-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
US10155760, Example 146
CID 118429917
5'-ethoxy-N-(6-methylpyridin-2-yl)-2,3'-bipyridin-6'-amine
CID 11220495
[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
(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
(3-Ethoxy-5-phenyl-pyridin-2-yl)-(6-methyl-pyridin-2-yl)-amine
CID 44404893
1-[3-[(2-Ethyl-3-pyridinyl)oxy]-5-(oxan-4-ylmethyl)-2-pyridinyl]-3-methylurea
CID 118722867
4-[5-[[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]methoxy]-2-pyridinyl]-2-fluoro-N-methoxy-N-methylbenzamide
CID 137643726

Frequently Asked Questions

What is the IUPAC name of (4S)-1-(5-fluoro-6-morpholin-4-yl-3-pyridinyl)-4-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]pentan-2-one?
The IUPAC name of (4S)-1-(5-fluoro-6-morpholin-4-yl-3-pyridinyl)-4-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]pentan-2-one (CID 58255239) is (4S)-1-(5-fluoro-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-(5-fluoro-6-morpholin-4-yl-3-pyridinyl)-4-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]pentan-2-one?
The canonical SMILES for (4S)-1-(5-fluoro-6-morpholin-4-yl-3-pyridinyl)-4-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]pentan-2-one is C[C@@H](CC(=O)Cc1cnc(N2CCOCC2)c(F)c1)c1ccc(OCC(F)(F)F)cn1.
What is the InChIKey of (4S)-1-(5-fluoro-6-morpholin-4-yl-3-pyridinyl)-4-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]pentan-2-one?
The InChIKey is WRWBRSVOWKJBIO-AWEZNQCLSA-N. The full InChI is InChI=1S/C21H23F4N3O3/c1-14(19-3-2-17(12-26-19)31-13-21(23,24)25)8-16(29)9-15-10-18(22)20(27-11-15)28-4-6-30-7-5-28/h2-3,10-12,14H,4-9,13H2,1H3/t14-/m0/s1.
What are the key properties of (4S)-1-(5-fluoro-6-morpholin-4-yl-3-pyridinyl)-4-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]pentan-2-one?
(4S)-1-(5-fluoro-6-morpholin-4-yl-3-pyridinyl)-4-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]pentan-2-one has a molecular weight of 441.43 g/mol, XLogP of 3.70, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-1-(5-fluoro-6-morpholin-4-yl-3-pyridinyl)-4-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]pentan-2-one is sourced from PubChem (CID 58255239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).