1-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl]-7-[5-[(4-fluoro-2-methylsulfinylphenyl)methyl]-1,3-thiazol-2-yl]-6-phenylmethoxyimidazo[1,2-a]pyrimidin-5-one

C32H32FN5O5S2 — CID 58126917

About 1-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl]-7-[5-[(4-fluoro-2-methylsulfinylphenyl)methyl]-1,3-thiazol-2-yl]-6-phenylmethoxyimidazo[1,2-a]pyrimidin-5-one

1-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl]-7-[5-[(4-fluoro-2-methylsulfinylphenyl)methyl]-1,3-thiazol-2-yl]-6-phenylmethoxyimidazo[1,2-a]pyrimidin-5-one (PubChem CID 58126917) has the molecular formula C32H32FN5O5S2 and a molecular weight of 649.77 g/mol. Its IUPAC name is 1-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl]-7-[5-[(4-fluoro-2-methylsulfinylphenyl)methyl]-1,3-thiazol-2-yl]-6-phenylmethoxyimidazo[1,2-a]pyrimidin-5-one.

Molecular Properties

• Compound Name: 1-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl]-7-[5-[(4-fluoro-2-methylsulfinylphenyl)methyl]-1,3-thiazol-2-yl]-6-phenylmethoxyimidazo[1,2-a]pyrimidin-5-one
• PubChem CID: 58126917
• Molecular Formula: C32H32FN5O5S2
• Molecular Weight: 649.77 g/mol
• Exact Mass: 649.18
• IUPAC Name: 1-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl]-7-[5-[(4-fluoro-2-methylsulfinylphenyl)methyl]-1,3-thiazol-2-yl]-6-phenylmethoxyimidazo[1,2-a]pyrimidin-5-one
• SMILES: C[C@@H]1CN(C(=O)Cn2ccn3c(=O)c(OCc4ccccc4)c(-c4ncc(Cc5ccc(F)cc5S(C)=O)s4)nc23)C[C@@H](C)O1
• InChI: InChI=1S/C32H32FN5O5S2/c1-20-16-37(17-21(2)43-20)27(39)18-36-11-12-38-31(40)29(42-19-22-7-5-4-6-8-22)28(35-32(36)38)30-34-15-25(44-30)13-23-9-10-24(33)14-26(23)45(3)41/h4-12,14-15,20-21H,13,16-19H2,1-3H3/t20-,21-,45?/m1/s1
• InChIKey: HFZKETCCOQMKCX-YNEUNFBNSA-N
• XLogP: 4.30
• TPSA: 108.03 Ų
• H-Bond Acceptors: 10
• Rotatable Bonds: 9
• Heavy Atoms: 45
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	649.77
LogP ≤ 5	4.30
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl]-7-[5-[(4-fluoro-2-methylsulfinylphenyl)methyl]-1,3-thiazol-2-yl]-6-phenylmethoxyimidazo[1,2-a]pyrimidin-5-one?

The IUPAC name of 1-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl]-7-[5-[(4-fluoro-2-methylsulfinylphenyl)methyl]-1,3-thiazol-2-yl]-6-phenylmethoxyimidazo[1,2-a]pyrimidin-5-one (CID 58126917) is 1-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl]-7-[5-[(4-fluoro-2-methylsulfinylphenyl)methyl]-1,3-thiazol-2-yl]-6-phenylmethoxyimidazo[1,2-a]pyrimidin-5-one.

What is the SMILES notation for 1-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl]-7-[5-[(4-fluoro-2-methylsulfinylphenyl)methyl]-1,3-thiazol-2-yl]-6-phenylmethoxyimidazo[1,2-a]pyrimidin-5-one?

The canonical SMILES for 1-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl]-7-[5-[(4-fluoro-2-methylsulfinylphenyl)methyl]-1,3-thiazol-2-yl]-6-phenylmethoxyimidazo[1,2-a]pyrimidin-5-one is C[C@@H]1CN(C(=O)Cn2ccn3c(=O)c(OCc4ccccc4)c(-c4ncc(Cc5ccc(F)cc5S(C)=O)s4)nc23)C[C@@H](C)O1.

What is the InChIKey of 1-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl]-7-[5-[(4-fluoro-2-methylsulfinylphenyl)methyl]-1,3-thiazol-2-yl]-6-phenylmethoxyimidazo[1,2-a]pyrimidin-5-one?

The InChIKey is HFZKETCCOQMKCX-YNEUNFBNSA-N. The full InChI is InChI=1S/C32H32FN5O5S2/c1-20-16-37(17-21(2)43-20)27(39)18-36-11-12-38-31(40)29(42-19-22-7-5-4-6-8-22)28(35-32(36)38)30-34-15-25(44-30)13-23-9-10-24(33)14-26(23)45(3)41/h4-12,14-15,20-21H,13,16-19H2,1-3H3/t20-,21-,45?/m1/s1.

What are the key properties of 1-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl]-7-[5-[(4-fluoro-2-methylsulfinylphenyl)methyl]-1,3-thiazol-2-yl]-6-phenylmethoxyimidazo[1,2-a]pyrimidin-5-one?

1-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl]-7-[5-[(4-fluoro-2-methylsulfinylphenyl)methyl]-1,3-thiazol-2-yl]-6-phenylmethoxyimidazo[1,2-a]pyrimidin-5-one has a molecular weight of 649.77 g/mol, XLogP of 4.30, 9 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl]-7-[5-[(4-fluoro-2-methylsulfinylphenyl)methyl]-1,3-thiazol-2-yl]-6-phenylmethoxyimidazo[1,2-a]pyrimidin-5-one is sourced from PubChem (CID 58126917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).