5-fluoro-2-[[2-[6-hydroxy-5-oxo-1-(2-oxo-2-piperidin-1-ylethyl)imidazo[1,2-a]pyrimidin-7-yl]-1,3-thiazol-5-yl]methyl]-N-methylbenzamide

C25H25FN6O4S — CID 135911639

About 5-fluoro-2-[[2-[6-hydroxy-5-oxo-1-(2-oxo-2-piperidin-1-ylethyl)imidazo[1,2-a]pyrimidin-7-yl]-1,3-thiazol-5-yl]methyl]-N-methylbenzamide

5-fluoro-2-[[2-[6-hydroxy-5-oxo-1-(2-oxo-2-piperidin-1-ylethyl)imidazo[1,2-a]pyrimidin-7-yl]-1,3-thiazol-5-yl]methyl]-N-methylbenzamide (PubChem CID 135911639) has the molecular formula C25H25FN6O4S and a molecular weight of 524.58 g/mol. Its IUPAC name is 5-fluoro-2-[[2-[6-hydroxy-5-oxo-1-(2-oxo-2-piperidin-1-ylethyl)imidazo[1,2-a]pyrimidin-7-yl]-1,3-thiazol-5-yl]methyl]-N-methylbenzamide.

Molecular Properties

• Compound Name: 5-fluoro-2-[[2-[6-hydroxy-5-oxo-1-(2-oxo-2-piperidin-1-ylethyl)imidazo[1,2-a]pyrimidin-7-yl]-1,3-thiazol-5-yl]methyl]-N-methylbenzamide
• PubChem CID: 135911639
• Molecular Formula: C25H25FN6O4S
• Molecular Weight: 524.58 g/mol
• Exact Mass: 524.16
• IUPAC Name: 5-fluoro-2-[[2-[6-hydroxy-5-oxo-1-(2-oxo-2-piperidin-1-ylethyl)imidazo[1,2-a]pyrimidin-7-yl]-1,3-thiazol-5-yl]methyl]-N-methylbenzamide
• SMILES: CNC(=O)c1cc(F)ccc1Cc1cnc(-c2nc3n(CC(=O)N4CCCCC4)ccn3c(=O)c2O)s1
• InChI: InChI=1S/C25H25FN6O4S/c1-27-22(35)18-12-16(26)6-5-15(18)11-17-13-28-23(37-17)20-21(34)24(36)32-10-9-31(25(32)29-20)14-19(33)30-7-3-2-4-8-30/h5-6,9-10,12-13,34H,2-4,7-8,11,14H2,1H3,(H,27,35)
• InChIKey: FFCQDJDYMJOYBB-UHFFFAOYSA-N
• XLogP: 2.43
• TPSA: 121.83 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 6
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	524.58
LogP ≤ 5	2.43
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-[[2-[6-hydroxy-5-oxo-1-(2-oxo-2-piperidin-1-ylethyl)imidazo[1,2-a]pyrimidin-7-yl]-1,3-thiazol-5-yl]methyl]-N-methylbenzamide?

The IUPAC name of 5-fluoro-2-[[2-[6-hydroxy-5-oxo-1-(2-oxo-2-piperidin-1-ylethyl)imidazo[1,2-a]pyrimidin-7-yl]-1,3-thiazol-5-yl]methyl]-N-methylbenzamide (CID 135911639) is 5-fluoro-2-[[2-[6-hydroxy-5-oxo-1-(2-oxo-2-piperidin-1-ylethyl)imidazo[1,2-a]pyrimidin-7-yl]-1,3-thiazol-5-yl]methyl]-N-methylbenzamide.

What is the SMILES notation for 5-fluoro-2-[[2-[6-hydroxy-5-oxo-1-(2-oxo-2-piperidin-1-ylethyl)imidazo[1,2-a]pyrimidin-7-yl]-1,3-thiazol-5-yl]methyl]-N-methylbenzamide?

The canonical SMILES for 5-fluoro-2-[[2-[6-hydroxy-5-oxo-1-(2-oxo-2-piperidin-1-ylethyl)imidazo[1,2-a]pyrimidin-7-yl]-1,3-thiazol-5-yl]methyl]-N-methylbenzamide is CNC(=O)c1cc(F)ccc1Cc1cnc(-c2nc3n(CC(=O)N4CCCCC4)ccn3c(=O)c2O)s1.

What is the InChIKey of 5-fluoro-2-[[2-[6-hydroxy-5-oxo-1-(2-oxo-2-piperidin-1-ylethyl)imidazo[1,2-a]pyrimidin-7-yl]-1,3-thiazol-5-yl]methyl]-N-methylbenzamide?

The InChIKey is FFCQDJDYMJOYBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25FN6O4S/c1-27-22(35)18-12-16(26)6-5-15(18)11-17-13-28-23(37-17)20-21(34)24(36)32-10-9-31(25(32)29-20)14-19(33)30-7-3-2-4-8-30/h5-6,9-10,12-13,34H,2-4,7-8,11,14H2,1H3,(H,27,35).

What are the key properties of 5-fluoro-2-[[2-[6-hydroxy-5-oxo-1-(2-oxo-2-piperidin-1-ylethyl)imidazo[1,2-a]pyrimidin-7-yl]-1,3-thiazol-5-yl]methyl]-N-methylbenzamide?

5-fluoro-2-[[2-[6-hydroxy-5-oxo-1-(2-oxo-2-piperidin-1-ylethyl)imidazo[1,2-a]pyrimidin-7-yl]-1,3-thiazol-5-yl]methyl]-N-methylbenzamide has a molecular weight of 524.58 g/mol, XLogP of 2.43, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 5-fluoro-2-[[2-[6-hydroxy-5-oxo-1-(2-oxo-2-piperidin-1-ylethyl)imidazo[1,2-a]pyrimidin-7-yl]-1,3-thiazol-5-yl]methyl]-N-methylbenzamide is sourced from PubChem (CID 135911639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).