5-(4-morpholin-4-yl-1,3-dihydroisoindol-2-yl)-4-(trifluoromethyl)diazinan-3-one

C17H21F3N4O2 — CID 154825930

IUPAC5-(4-morpholin-4-yl-1,3-dihydroisoindol-2-yl)-4-(trifluoromethyl)diazinan-3-one
SMILESO=C1NNCC(N2Cc3cccc(N4CCOCC4)c3C2)C1C(F)(F)F
InChIInChI=1S/C17H21F3N4O2/c18-17(19,20)15-14(8-21-22-16(15)25)24-9-11-2-1-3-13(12(11)10-24)23-4-6-26-7-5-23/h1-3,14-15,21H,4-10H2,(H,22,25)
InChIKeyWVZDZUROBPTYSP-UHFFFAOYSA-N
MW370.38 g/mol
LogP1.02
Rot. Bonds2

About 5-(4-morpholin-4-yl-1,3-dihydroisoindol-2-yl)-4-(trifluoromethyl)diazinan-3-one

5-(4-morpholin-4-yl-1,3-dihydroisoindol-2-yl)-4-(trifluoromethyl)diazinan-3-one (PubChem CID 154825930) has the molecular formula C17H21F3N4O2 and a molecular weight of 370.38 g/mol. Its IUPAC name is 5-(4-morpholin-4-yl-1,3-dihydroisoindol-2-yl)-4-(trifluoromethyl)diazinan-3-one.

Molecular Properties

Compound Name5-(4-morpholin-4-yl-1,3-dihydroisoindol-2-yl)-4-(trifluoromethyl)diazinan-3-one
PubChem CID154825930
Molecular FormulaC17H21F3N4O2
Molecular Weight370.38 g/mol
Exact Mass370.16
IUPAC Name5-(4-morpholin-4-yl-1,3-dihydroisoindol-2-yl)-4-(trifluoromethyl)diazinan-3-one
SMILESO=C1NNCC(N2Cc3cccc(N4CCOCC4)c3C2)C1C(F)(F)F
InChIInChI=1S/C17H21F3N4O2/c18-17(19,20)15-14(8-21-22-16(15)25)24-9-11-2-1-3-13(12(11)10-24)23-4-6-26-7-5-23/h1-3,14-15,21H,4-10H2,(H,22,25)
InChIKeyWVZDZUROBPTYSP-UHFFFAOYSA-N
XLogP1.02
TPSA56.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.38
LogP ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 5-(4-morpholin-4-yl-1,3-dihydroisoindol-2-yl)-4-(trifluoromethyl)diazinan-3-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

US9133168, Example 36d
CID 76534650
7-(2-morpholin-4-ylphenyl)-5-(2,2,2-trifluoroethyl)-2,3,3a,5a,6,7,8,9,9a,9b-decahydro-1H-pyrazolo[4,3-c]quinolin-4-one
CID 78103919
7-(4-morpholin-4-ylphenyl)-5-(2,2,2-trifluoroethyl)-2,3,3a,5a,6,7,8,9,9a,9b-decahydro-1H-pyrazolo[4,3-c]quinolin-4-one
CID 78103922
US10550105, Example 205
CID 154825882
US10550105, Example 254
CID 154825931
US10550105, Example 290
CID 154825965
US10550105, Example 294
CID 154825969
US10550105, Example 295
CID 154825970
US10550105, Example 296
CID 154825971
US10550105, Example 297
CID 154825972
US10550105, Example 298
CID 154825973
US10550105, Example 299
CID 154825974

Frequently Asked Questions

What is the IUPAC name of 5-(4-morpholin-4-yl-1,3-dihydroisoindol-2-yl)-4-(trifluoromethyl)diazinan-3-one?
The IUPAC name of 5-(4-morpholin-4-yl-1,3-dihydroisoindol-2-yl)-4-(trifluoromethyl)diazinan-3-one (CID 154825930) is 5-(4-morpholin-4-yl-1,3-dihydroisoindol-2-yl)-4-(trifluoromethyl)diazinan-3-one.
What is the SMILES notation for 5-(4-morpholin-4-yl-1,3-dihydroisoindol-2-yl)-4-(trifluoromethyl)diazinan-3-one?
The canonical SMILES for 5-(4-morpholin-4-yl-1,3-dihydroisoindol-2-yl)-4-(trifluoromethyl)diazinan-3-one is O=C1NNCC(N2Cc3cccc(N4CCOCC4)c3C2)C1C(F)(F)F.
What is the InChIKey of 5-(4-morpholin-4-yl-1,3-dihydroisoindol-2-yl)-4-(trifluoromethyl)diazinan-3-one?
The InChIKey is WVZDZUROBPTYSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21F3N4O2/c18-17(19,20)15-14(8-21-22-16(15)25)24-9-11-2-1-3-13(12(11)10-24)23-4-6-26-7-5-23/h1-3,14-15,21H,4-10H2,(H,22,25).
What are the key properties of 5-(4-morpholin-4-yl-1,3-dihydroisoindol-2-yl)-4-(trifluoromethyl)diazinan-3-one?
5-(4-morpholin-4-yl-1,3-dihydroisoindol-2-yl)-4-(trifluoromethyl)diazinan-3-one has a molecular weight of 370.38 g/mol, XLogP of 1.02, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-morpholin-4-yl-1,3-dihydroisoindol-2-yl)-4-(trifluoromethyl)diazinan-3-one is sourced from PubChem (CID 154825930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).