cyclopent-3-en-1-yl-[3-(4-morpholin-4-ylpyrimidin-2-yl)morpholin-4-yl]methanone;2,2,2-trifluoroacetic acid

C20H25F3N4O5 — CID 155831499

IUPACcyclopent-3-en-1-yl-[3-(4-morpholin-4-ylpyrimidin-2-yl)morpholin-4-yl]methanone;2,2,2-trifluoroacetic acid
SMILESO=C(C1CC=CC1)N1CCOCC1c1nccc(N2CCOCC2)n1.O=C(O)C(F)(F)F
InChIInChI=1S/C18H24N4O3.C2HF3O2/c23-18(14-3-1-2-4-14)22-9-12-25-13-15(22)17-19-6-5-16(20-17)21-7-10-24-11-8-21;3-2(4,5)1(6)7/h1-2,5-6,14-15H,3-4,7-13H2;(H,6,7)
InChIKeyFICBKAGTWMIXJR-UHFFFAOYSA-N
MW458.44 g/mol
LogP1.81
Rot. Bonds3

About cyclopent-3-en-1-yl-[3-(4-morpholin-4-ylpyrimidin-2-yl)morpholin-4-yl]methanone;2,2,2-trifluoroacetic acid

cyclopent-3-en-1-yl-[3-(4-morpholin-4-ylpyrimidin-2-yl)morpholin-4-yl]methanone;2,2,2-trifluoroacetic acid (PubChem CID 155831499) has the molecular formula C20H25F3N4O5 and a molecular weight of 458.44 g/mol. Its IUPAC name is cyclopent-3-en-1-yl-[3-(4-morpholin-4-ylpyrimidin-2-yl)morpholin-4-yl]methanone;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Namecyclopent-3-en-1-yl-[3-(4-morpholin-4-ylpyrimidin-2-yl)morpholin-4-yl]methanone;2,2,2-trifluoroacetic acid
PubChem CID155831499
Molecular FormulaC20H25F3N4O5
Molecular Weight458.44 g/mol
Exact Mass458.18
IUPAC Namecyclopent-3-en-1-yl-[3-(4-morpholin-4-ylpyrimidin-2-yl)morpholin-4-yl]methanone;2,2,2-trifluoroacetic acid
SMILESO=C(C1CC=CC1)N1CCOCC1c1nccc(N2CCOCC2)n1.O=C(O)C(F)(F)F
InChIInChI=1S/C18H24N4O3.C2HF3O2/c23-18(14-3-1-2-4-14)22-9-12-25-13-15(22)17-19-6-5-16(20-17)21-7-10-24-11-8-21;3-2(4,5)1(6)7/h1-2,5-6,14-15H,3-4,7-13H2;(H,6,7)
InChIKeyFICBKAGTWMIXJR-UHFFFAOYSA-N
XLogP1.81
TPSA105.09 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.44
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze cyclopent-3-en-1-yl-[3-(4-morpholin-4-ylpyrimidin-2-yl)morpholin-4-yl]methanone;2,2,2-trifluoroacetic acid 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

2-(Dimethylamino)-1-(4-pyrimidin-2-yl-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)ethanone;2,2,2-trifluoroacetic acid
CID 118745071
Oxolan-3-yl-(4-pyrimidin-2-yl-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)methanone;2,2,2-trifluoroacetic acid
CID 118745075
(1-fluorocyclobutyl)-[(3S)-3-(4-morpholin-4-ylpyrimidin-2-yl)morpholin-4-yl]methanone
CID 129558157
(1-fluorocyclobutyl)-[(3R)-3-(4-morpholin-4-ylpyrimidin-2-yl)morpholin-4-yl]methanone
CID 129558158
(1-fluorocyclopropyl)-[(3S)-3-(4-morpholin-4-ylpyrimidin-2-yl)morpholin-4-yl]methanone
CID 129558171
(1-fluorocyclopropyl)-[(3R)-3-(4-morpholin-4-ylpyrimidin-2-yl)morpholin-4-yl]methanone
CID 129558172
(3-fluorocyclobutyl)-[(3S)-3-(4-morpholin-4-ylpyrimidin-2-yl)morpholin-4-yl]methanone
CID 129558183
(3-fluorocyclobutyl)-[(3R)-3-(4-morpholin-4-ylpyrimidin-2-yl)morpholin-4-yl]methanone
CID 129558184
(1-Fluorocyclobutyl)-[3-(4-morpholin-4-ylpyrimidin-2-yl)morpholin-4-yl]methanone
CID 131679935
(3-Fluorocyclobutyl)-[3-(4-morpholin-4-ylpyrimidin-2-yl)morpholin-4-yl]methanone
CID 131680211
(1-Fluorocyclopropyl)-[3-(4-morpholin-4-ylpyrimidin-2-yl)morpholin-4-yl]methanone
CID 131681671
3-(2,2-Difluoroethoxy)-1-[4-(4-morpholin-4-ylpyrimidin-2-yl)piperidin-1-yl]propan-1-one
CID 132404689

Frequently Asked Questions

What is the IUPAC name of cyclopent-3-en-1-yl-[3-(4-morpholin-4-ylpyrimidin-2-yl)morpholin-4-yl]methanone;2,2,2-trifluoroacetic acid?
The IUPAC name of cyclopent-3-en-1-yl-[3-(4-morpholin-4-ylpyrimidin-2-yl)morpholin-4-yl]methanone;2,2,2-trifluoroacetic acid (CID 155831499) is cyclopent-3-en-1-yl-[3-(4-morpholin-4-ylpyrimidin-2-yl)morpholin-4-yl]methanone;2,2,2-trifluoroacetic acid.
What is the SMILES notation for cyclopent-3-en-1-yl-[3-(4-morpholin-4-ylpyrimidin-2-yl)morpholin-4-yl]methanone;2,2,2-trifluoroacetic acid?
The canonical SMILES for cyclopent-3-en-1-yl-[3-(4-morpholin-4-ylpyrimidin-2-yl)morpholin-4-yl]methanone;2,2,2-trifluoroacetic acid is O=C(C1CC=CC1)N1CCOCC1c1nccc(N2CCOCC2)n1.O=C(O)C(F)(F)F.
What is the InChIKey of cyclopent-3-en-1-yl-[3-(4-morpholin-4-ylpyrimidin-2-yl)morpholin-4-yl]methanone;2,2,2-trifluoroacetic acid?
The InChIKey is FICBKAGTWMIXJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O3.C2HF3O2/c23-18(14-3-1-2-4-14)22-9-12-25-13-15(22)17-19-6-5-16(20-17)21-7-10-24-11-8-21;3-2(4,5)1(6)7/h1-2,5-6,14-15H,3-4,7-13H2;(H,6,7).
What are the key properties of cyclopent-3-en-1-yl-[3-(4-morpholin-4-ylpyrimidin-2-yl)morpholin-4-yl]methanone;2,2,2-trifluoroacetic acid?
cyclopent-3-en-1-yl-[3-(4-morpholin-4-ylpyrimidin-2-yl)morpholin-4-yl]methanone;2,2,2-trifluoroacetic acid has a molecular weight of 458.44 g/mol, XLogP of 1.81, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopent-3-en-1-yl-[3-(4-morpholin-4-ylpyrimidin-2-yl)morpholin-4-yl]methanone;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 155831499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).