2-[4-[3-[[5-cyano-4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]-2-ethyl-8-fluoroimidazo[1,2-a]pyridin-6-yl]piperazin-1-yl]-N-methylacetamide

C27H28F2N8OS — CID 78427771

About 2-[4-[3-[[5-cyano-4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]-2-ethyl-8-fluoroimidazo[1,2-a]pyridin-6-yl]piperazin-1-yl]-N-methylacetamide

2-[4-[3-[[5-cyano-4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]-2-ethyl-8-fluoroimidazo[1,2-a]pyridin-6-yl]piperazin-1-yl]-N-methylacetamide (PubChem CID 78427771) has the molecular formula C27H28F2N8OS and a molecular weight of 550.64 g/mol. Its IUPAC name is 2-[4-[3-[[5-cyano-4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]-2-ethyl-8-fluoroimidazo[1,2-a]pyridin-6-yl]piperazin-1-yl]-N-methylacetamide.

Molecular Properties

• Compound Name: 2-[4-[3-[[5-cyano-4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]-2-ethyl-8-fluoroimidazo[1,2-a]pyridin-6-yl]piperazin-1-yl]-N-methylacetamide
• PubChem CID: 78427771
• Molecular Formula: C27H28F2N8OS
• Molecular Weight: 550.64 g/mol
• Exact Mass: 550.21
• IUPAC Name: 2-[4-[3-[[5-cyano-4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]-2-ethyl-8-fluoroimidazo[1,2-a]pyridin-6-yl]piperazin-1-yl]-N-methylacetamide
• SMILES: CCc1nc2c(F)cc(N3CCN(CC(=O)NC)CC3)cn2c1N(C)c1nc(-c2ccc(F)cc2)c(C#N)s1
• InChI: InChI=1S/C27H28F2N8OS/c1-4-21-26(34(3)27-33-24(22(14-30)39-27)17-5-7-18(28)8-6-17)37-15-19(13-20(29)25(37)32-21)36-11-9-35(10-12-36)16-23(38)31-2/h5-8,13,15H,4,9-12,16H2,1-3H3,(H,31,38)
• InChIKey: QZUUDAYHSPCQPL-UHFFFAOYSA-N
• XLogP: 3.81
• TPSA: 92.80 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 7
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	550.64
LogP ≤ 5	3.81
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 2-[4-[3-[[5-cyano-4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]-2-ethyl-8-fluoroimidazo[1,2-a]pyridin-6-yl]piperazin-1-yl]-N-methylacetamide?

The IUPAC name of 2-[4-[3-[[5-cyano-4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]-2-ethyl-8-fluoroimidazo[1,2-a]pyridin-6-yl]piperazin-1-yl]-N-methylacetamide (CID 78427771) is 2-[4-[3-[[5-cyano-4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]-2-ethyl-8-fluoroimidazo[1,2-a]pyridin-6-yl]piperazin-1-yl]-N-methylacetamide.

What is the SMILES notation for 2-[4-[3-[[5-cyano-4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]-2-ethyl-8-fluoroimidazo[1,2-a]pyridin-6-yl]piperazin-1-yl]-N-methylacetamide?

The canonical SMILES for 2-[4-[3-[[5-cyano-4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]-2-ethyl-8-fluoroimidazo[1,2-a]pyridin-6-yl]piperazin-1-yl]-N-methylacetamide is CCc1nc2c(F)cc(N3CCN(CC(=O)NC)CC3)cn2c1N(C)c1nc(-c2ccc(F)cc2)c(C#N)s1.

What is the InChIKey of 2-[4-[3-[[5-cyano-4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]-2-ethyl-8-fluoroimidazo[1,2-a]pyridin-6-yl]piperazin-1-yl]-N-methylacetamide?

The InChIKey is QZUUDAYHSPCQPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28F2N8OS/c1-4-21-26(34(3)27-33-24(22(14-30)39-27)17-5-7-18(28)8-6-17)37-15-19(13-20(29)25(37)32-21)36-11-9-35(10-12-36)16-23(38)31-2/h5-8,13,15H,4,9-12,16H2,1-3H3,(H,31,38).

What are the key properties of 2-[4-[3-[[5-cyano-4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]-2-ethyl-8-fluoroimidazo[1,2-a]pyridin-6-yl]piperazin-1-yl]-N-methylacetamide?

2-[4-[3-[[5-cyano-4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]-2-ethyl-8-fluoroimidazo[1,2-a]pyridin-6-yl]piperazin-1-yl]-N-methylacetamide has a molecular weight of 550.64 g/mol, XLogP of 3.81, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-[3-[[5-cyano-4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]-2-ethyl-8-fluoroimidazo[1,2-a]pyridin-6-yl]piperazin-1-yl]-N-methylacetamide is sourced from PubChem (CID 78427771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).