(2S)-1-[(2S)-2-(2-chloro-4-methoxyphenyl)-2-hydroxyethyl]-2-methyl-7-morpholin-4-yl-2-(trifluoromethyl)-3H-imidazo[1,2-a]pyrimidin-5-one

C21H24ClF3N4O4 — CID 50899803

IUPAC(2S)-1-[(2S)-2-(2-chloro-4-methoxyphenyl)-2-hydroxyethyl]-2-methyl-7-morpholin-4-yl-2-(trifluoromethyl)-3H-imidazo[1,2-a]pyrimidin-5-one
SMILESCOc1ccc([C@H](O)CN2c3nc(N4CCOCC4)cc(=O)n3C[C@@]2(C)C(F)(F)F)c(Cl)c1
InChIInChI=1S/C21H24ClF3N4O4/c1-20(21(23,24)25)12-28-18(31)10-17(27-5-7-33-8-6-27)26-19(28)29(20)11-16(30)14-4-3-13(32-2)9-15(14)22/h3-4,9-10,16,30H,5-8,11-12H2,1-2H3/t16-,20+/m1/s1
InChIKeyWGYVUXOQVFWYBM-UZLBHIALSA-N
MW488.89 g/mol
LogP2.62
Rot. Bonds5

About (2S)-1-[(2S)-2-(2-chloro-4-methoxyphenyl)-2-hydroxyethyl]-2-methyl-7-morpholin-4-yl-2-(trifluoromethyl)-3H-imidazo[1,2-a]pyrimidin-5-one

(2S)-1-[(2S)-2-(2-chloro-4-methoxyphenyl)-2-hydroxyethyl]-2-methyl-7-morpholin-4-yl-2-(trifluoromethyl)-3H-imidazo[1,2-a]pyrimidin-5-one (PubChem CID 50899803) has the molecular formula C21H24ClF3N4O4 and a molecular weight of 488.89 g/mol. Its IUPAC name is (2S)-1-[(2S)-2-(2-chloro-4-methoxyphenyl)-2-hydroxyethyl]-2-methyl-7-morpholin-4-yl-2-(trifluoromethyl)-3H-imidazo[1,2-a]pyrimidin-5-one.

Molecular Properties

Compound Name(2S)-1-[(2S)-2-(2-chloro-4-methoxyphenyl)-2-hydroxyethyl]-2-methyl-7-morpholin-4-yl-2-(trifluoromethyl)-3H-imidazo[1,2-a]pyrimidin-5-one
PubChem CID50899803
Molecular FormulaC21H24ClF3N4O4
Molecular Weight488.89 g/mol
Exact Mass488.14
IUPAC Name(2S)-1-[(2S)-2-(2-chloro-4-methoxyphenyl)-2-hydroxyethyl]-2-methyl-7-morpholin-4-yl-2-(trifluoromethyl)-3H-imidazo[1,2-a]pyrimidin-5-one
SMILESCOc1ccc([C@H](O)CN2c3nc(N4CCOCC4)cc(=O)n3C[C@@]2(C)C(F)(F)F)c(Cl)c1
InChIInChI=1S/C21H24ClF3N4O4/c1-20(21(23,24)25)12-28-18(31)10-17(27-5-7-33-8-6-27)26-19(28)29(20)11-16(30)14-4-3-13(32-2)9-15(14)22/h3-4,9-10,16,30H,5-8,11-12H2,1-2H3/t16-,20+/m1/s1
InChIKeyWGYVUXOQVFWYBM-UZLBHIALSA-N
XLogP2.62
TPSA80.06 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.89
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze (2S)-1-[(2S)-2-(2-chloro-4-methoxyphenyl)-2-hydroxyethyl]-2-methyl-7-morpholin-4-yl-2-(trifluoromethyl)-3H-imidazo[1,2-a]pyrimidin-5-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of (2S)-1-[(2S)-2-(2-chloro-4-methoxyphenyl)-2-hydroxyethyl]-2-methyl-7-morpholin-4-yl-2-(trifluoromethyl)-3H-imidazo[1,2-a]pyrimidin-5-one?
The IUPAC name of (2S)-1-[(2S)-2-(2-chloro-4-methoxyphenyl)-2-hydroxyethyl]-2-methyl-7-morpholin-4-yl-2-(trifluoromethyl)-3H-imidazo[1,2-a]pyrimidin-5-one (CID 50899803) is (2S)-1-[(2S)-2-(2-chloro-4-methoxyphenyl)-2-hydroxyethyl]-2-methyl-7-morpholin-4-yl-2-(trifluoromethyl)-3H-imidazo[1,2-a]pyrimidin-5-one.
What is the SMILES notation for (2S)-1-[(2S)-2-(2-chloro-4-methoxyphenyl)-2-hydroxyethyl]-2-methyl-7-morpholin-4-yl-2-(trifluoromethyl)-3H-imidazo[1,2-a]pyrimidin-5-one?
The canonical SMILES for (2S)-1-[(2S)-2-(2-chloro-4-methoxyphenyl)-2-hydroxyethyl]-2-methyl-7-morpholin-4-yl-2-(trifluoromethyl)-3H-imidazo[1,2-a]pyrimidin-5-one is COc1ccc([C@H](O)CN2c3nc(N4CCOCC4)cc(=O)n3C[C@@]2(C)C(F)(F)F)c(Cl)c1.
What is the InChIKey of (2S)-1-[(2S)-2-(2-chloro-4-methoxyphenyl)-2-hydroxyethyl]-2-methyl-7-morpholin-4-yl-2-(trifluoromethyl)-3H-imidazo[1,2-a]pyrimidin-5-one?
The InChIKey is WGYVUXOQVFWYBM-UZLBHIALSA-N. The full InChI is InChI=1S/C21H24ClF3N4O4/c1-20(21(23,24)25)12-28-18(31)10-17(27-5-7-33-8-6-27)26-19(28)29(20)11-16(30)14-4-3-13(32-2)9-15(14)22/h3-4,9-10,16,30H,5-8,11-12H2,1-2H3/t16-,20+/m1/s1.
What are the key properties of (2S)-1-[(2S)-2-(2-chloro-4-methoxyphenyl)-2-hydroxyethyl]-2-methyl-7-morpholin-4-yl-2-(trifluoromethyl)-3H-imidazo[1,2-a]pyrimidin-5-one?
(2S)-1-[(2S)-2-(2-chloro-4-methoxyphenyl)-2-hydroxyethyl]-2-methyl-7-morpholin-4-yl-2-(trifluoromethyl)-3H-imidazo[1,2-a]pyrimidin-5-one has a molecular weight of 488.89 g/mol, XLogP of 2.62, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[(2S)-2-(2-chloro-4-methoxyphenyl)-2-hydroxyethyl]-2-methyl-7-morpholin-4-yl-2-(trifluoromethyl)-3H-imidazo[1,2-a]pyrimidin-5-one is sourced from PubChem (CID 50899803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).