(2S)-2-methyl-7-[(3R)-3-methylmorpholin-4-yl]-1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-2-(trifluoromethyl)-3H-imidazo[1,2-a]pyrimidin-5-one

C17H21F3N6O3 — CID 118091536

IUPAC(2S)-2-methyl-7-[(3R)-3-methylmorpholin-4-yl]-1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-2-(trifluoromethyl)-3H-imidazo[1,2-a]pyrimidin-5-one
SMILESCc1noc(CN2c3nc(N4CCOC[C@H]4C)cc(=O)n3C[C@@]2(C)C(F)(F)F)n1
InChIInChI=1S/C17H21F3N6O3/c1-10-8-28-5-4-24(10)12-6-14(27)25-9-16(3,17(18,19)20)26(15(25)22-12)7-13-21-11(2)23-29-13/h6,10H,4-5,7-9H2,1-3H3/t10-,16+/m1/s1
InChIKeyRBKQRJUJXSPMFS-HWPZZCPQSA-N
MW414.39 g/mol
LogP1.50
Rot. Bonds3

About (2S)-2-methyl-7-[(3R)-3-methylmorpholin-4-yl]-1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-2-(trifluoromethyl)-3H-imidazo[1,2-a]pyrimidin-5-one

(2S)-2-methyl-7-[(3R)-3-methylmorpholin-4-yl]-1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-2-(trifluoromethyl)-3H-imidazo[1,2-a]pyrimidin-5-one (PubChem CID 118091536) has the molecular formula C17H21F3N6O3 and a molecular weight of 414.39 g/mol. Its IUPAC name is (2S)-2-methyl-7-[(3R)-3-methylmorpholin-4-yl]-1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-2-(trifluoromethyl)-3H-imidazo[1,2-a]pyrimidin-5-one.

Molecular Properties

Compound Name(2S)-2-methyl-7-[(3R)-3-methylmorpholin-4-yl]-1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-2-(trifluoromethyl)-3H-imidazo[1,2-a]pyrimidin-5-one
PubChem CID118091536
Molecular FormulaC17H21F3N6O3
Molecular Weight414.39 g/mol
Exact Mass414.16
IUPAC Name(2S)-2-methyl-7-[(3R)-3-methylmorpholin-4-yl]-1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-2-(trifluoromethyl)-3H-imidazo[1,2-a]pyrimidin-5-one
SMILESCc1noc(CN2c3nc(N4CCOC[C@H]4C)cc(=O)n3C[C@@]2(C)C(F)(F)F)n1
InChIInChI=1S/C17H21F3N6O3/c1-10-8-28-5-4-24(10)12-6-14(27)25-9-16(3,17(18,19)20)26(15(25)22-12)7-13-21-11(2)23-29-13/h6,10H,4-5,7-9H2,1-3H3/t10-,16+/m1/s1
InChIKeyRBKQRJUJXSPMFS-HWPZZCPQSA-N
XLogP1.50
TPSA89.52 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.39
LogP ≤ 51.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze (2S)-2-methyl-7-[(3R)-3-methylmorpholin-4-yl]-1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-2-(trifluoromethyl)-3H-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 (2S)-2-methyl-7-[(3R)-3-methylmorpholin-4-yl]-1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-2-(trifluoromethyl)-3H-imidazo[1,2-a]pyrimidin-5-one?
The IUPAC name of (2S)-2-methyl-7-[(3R)-3-methylmorpholin-4-yl]-1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-2-(trifluoromethyl)-3H-imidazo[1,2-a]pyrimidin-5-one (CID 118091536) is (2S)-2-methyl-7-[(3R)-3-methylmorpholin-4-yl]-1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-2-(trifluoromethyl)-3H-imidazo[1,2-a]pyrimidin-5-one.
What is the SMILES notation for (2S)-2-methyl-7-[(3R)-3-methylmorpholin-4-yl]-1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-2-(trifluoromethyl)-3H-imidazo[1,2-a]pyrimidin-5-one?
The canonical SMILES for (2S)-2-methyl-7-[(3R)-3-methylmorpholin-4-yl]-1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-2-(trifluoromethyl)-3H-imidazo[1,2-a]pyrimidin-5-one is Cc1noc(CN2c3nc(N4CCOC[C@H]4C)cc(=O)n3C[C@@]2(C)C(F)(F)F)n1.
What is the InChIKey of (2S)-2-methyl-7-[(3R)-3-methylmorpholin-4-yl]-1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-2-(trifluoromethyl)-3H-imidazo[1,2-a]pyrimidin-5-one?
The InChIKey is RBKQRJUJXSPMFS-HWPZZCPQSA-N. The full InChI is InChI=1S/C17H21F3N6O3/c1-10-8-28-5-4-24(10)12-6-14(27)25-9-16(3,17(18,19)20)26(15(25)22-12)7-13-21-11(2)23-29-13/h6,10H,4-5,7-9H2,1-3H3/t10-,16+/m1/s1.
What are the key properties of (2S)-2-methyl-7-[(3R)-3-methylmorpholin-4-yl]-1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-2-(trifluoromethyl)-3H-imidazo[1,2-a]pyrimidin-5-one?
(2S)-2-methyl-7-[(3R)-3-methylmorpholin-4-yl]-1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-2-(trifluoromethyl)-3H-imidazo[1,2-a]pyrimidin-5-one has a molecular weight of 414.39 g/mol, XLogP of 1.50, 3 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-methyl-7-[(3R)-3-methylmorpholin-4-yl]-1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-2-(trifluoromethyl)-3H-imidazo[1,2-a]pyrimidin-5-one is sourced from PubChem (CID 118091536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).