7-morpholin-4-yl-1-[[3-(trifluoromethyl)phenyl]methyl]imidazo[1,2-a]pyrimidin-5-one

C18H17F3N4O2 — CID 57396626

IUPAC7-morpholin-4-yl-1-[[3-(trifluoromethyl)phenyl]methyl]imidazo[1,2-a]pyrimidin-5-one
SMILESO=c1cc(N2CCOCC2)nc2n(Cc3cccc(C(F)(F)F)c3)ccn12
InChIInChI=1S/C18H17F3N4O2/c19-18(20,21)14-3-1-2-13(10-14)12-24-4-5-25-16(26)11-15(22-17(24)25)23-6-8-27-9-7-23/h1-5,10-11H,6-9,12H2
InChIKeyQRXNLIGZNSTYED-UHFFFAOYSA-N
MW378.35 g/mol
LogP2.40
Rot. Bonds3

About 7-morpholin-4-yl-1-[[3-(trifluoromethyl)phenyl]methyl]imidazo[1,2-a]pyrimidin-5-one

7-morpholin-4-yl-1-[[3-(trifluoromethyl)phenyl]methyl]imidazo[1,2-a]pyrimidin-5-one (PubChem CID 57396626) has the molecular formula C18H17F3N4O2 and a molecular weight of 378.35 g/mol. Its IUPAC name is 7-morpholin-4-yl-1-[[3-(trifluoromethyl)phenyl]methyl]imidazo[1,2-a]pyrimidin-5-one.

Molecular Properties

Compound Name7-morpholin-4-yl-1-[[3-(trifluoromethyl)phenyl]methyl]imidazo[1,2-a]pyrimidin-5-one
PubChem CID57396626
Molecular FormulaC18H17F3N4O2
Molecular Weight378.35 g/mol
Exact Mass378.13
IUPAC Name7-morpholin-4-yl-1-[[3-(trifluoromethyl)phenyl]methyl]imidazo[1,2-a]pyrimidin-5-one
SMILESO=c1cc(N2CCOCC2)nc2n(Cc3cccc(C(F)(F)F)c3)ccn12
InChIInChI=1S/C18H17F3N4O2/c19-18(20,21)14-3-1-2-13(10-14)12-24-4-5-25-16(26)11-15(22-17(24)25)23-6-8-27-9-7-23/h1-5,10-11H,6-9,12H2
InChIKeyQRXNLIGZNSTYED-UHFFFAOYSA-N
XLogP2.40
TPSA51.77 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.35
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 7-morpholin-4-yl-1-[[3-(trifluoromethyl)phenyl]methyl]imidazo[1,2-a]pyrimidin-5-one 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 7-morpholin-4-yl-1-[[3-(trifluoromethyl)phenyl]methyl]imidazo[1,2-a]pyrimidin-5-one?
The IUPAC name of 7-morpholin-4-yl-1-[[3-(trifluoromethyl)phenyl]methyl]imidazo[1,2-a]pyrimidin-5-one (CID 57396626) is 7-morpholin-4-yl-1-[[3-(trifluoromethyl)phenyl]methyl]imidazo[1,2-a]pyrimidin-5-one.
What is the SMILES notation for 7-morpholin-4-yl-1-[[3-(trifluoromethyl)phenyl]methyl]imidazo[1,2-a]pyrimidin-5-one?
The canonical SMILES for 7-morpholin-4-yl-1-[[3-(trifluoromethyl)phenyl]methyl]imidazo[1,2-a]pyrimidin-5-one is O=c1cc(N2CCOCC2)nc2n(Cc3cccc(C(F)(F)F)c3)ccn12.
What is the InChIKey of 7-morpholin-4-yl-1-[[3-(trifluoromethyl)phenyl]methyl]imidazo[1,2-a]pyrimidin-5-one?
The InChIKey is QRXNLIGZNSTYED-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17F3N4O2/c19-18(20,21)14-3-1-2-13(10-14)12-24-4-5-25-16(26)11-15(22-17(24)25)23-6-8-27-9-7-23/h1-5,10-11H,6-9,12H2.
What are the key properties of 7-morpholin-4-yl-1-[[3-(trifluoromethyl)phenyl]methyl]imidazo[1,2-a]pyrimidin-5-one?
7-morpholin-4-yl-1-[[3-(trifluoromethyl)phenyl]methyl]imidazo[1,2-a]pyrimidin-5-one has a molecular weight of 378.35 g/mol, XLogP of 2.40, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-morpholin-4-yl-1-[[3-(trifluoromethyl)phenyl]methyl]imidazo[1,2-a]pyrimidin-5-one is sourced from PubChem (CID 57396626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).