2-[4-[2-ethyl-3-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]-8-methylimidazo[1,2-a]pyridin-6-yl]piperazin-1-yl]-1-(3-hydroxyazetidin-1-yl)ethanone

C29H34FN7O2S — CID 78427639

About 2-[4-[2-ethyl-3-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]-8-methylimidazo[1,2-a]pyridin-6-yl]piperazin-1-yl]-1-(3-hydroxyazetidin-1-yl)ethanone

2-[4-[2-ethyl-3-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]-8-methylimidazo[1,2-a]pyridin-6-yl]piperazin-1-yl]-1-(3-hydroxyazetidin-1-yl)ethanone (PubChem CID 78427639) has the molecular formula C29H34FN7O2S and a molecular weight of 563.70 g/mol. Its IUPAC name is 2-[4-[2-ethyl-3-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]-8-methylimidazo[1,2-a]pyridin-6-yl]piperazin-1-yl]-1-(3-hydroxyazetidin-1-yl)ethanone.

Molecular Properties

• Compound Name: 2-[4-[2-ethyl-3-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]-8-methylimidazo[1,2-a]pyridin-6-yl]piperazin-1-yl]-1-(3-hydroxyazetidin-1-yl)ethanone
• PubChem CID: 78427639
• Molecular Formula: C29H34FN7O2S
• Molecular Weight: 563.70 g/mol
• Exact Mass: 563.25
• IUPAC Name: 2-[4-[2-ethyl-3-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]-8-methylimidazo[1,2-a]pyridin-6-yl]piperazin-1-yl]-1-(3-hydroxyazetidin-1-yl)ethanone
• SMILES: CCc1nc2c(C)cc(N3CCN(CC(=O)N4CC(O)C4)CC3)cn2c1N(C)c1nc(-c2ccc(F)cc2)cs1
• InChI: InChI=1S/C29H34FN7O2S/c1-4-24-28(33(3)29-32-25(18-40-29)20-5-7-21(30)8-6-20)37-14-22(13-19(2)27(37)31-24)35-11-9-34(10-12-35)17-26(39)36-15-23(38)16-36/h5-8,13-14,18,23,38H,4,9-12,15-17H2,1-3H3
• InChIKey: PGZHYJGQWOOUAY-UHFFFAOYSA-N
• XLogP: 3.56
• TPSA: 80.45 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 7
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	563.70
LogP ≤ 5	3.56
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-ethyl-3-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]-8-methylimidazo[1,2-a]pyridin-6-yl]piperazin-1-yl]-1-(3-hydroxyazetidin-1-yl)ethanone?

The IUPAC name of 2-[4-[2-ethyl-3-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]-8-methylimidazo[1,2-a]pyridin-6-yl]piperazin-1-yl]-1-(3-hydroxyazetidin-1-yl)ethanone (CID 78427639) is 2-[4-[2-ethyl-3-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]-8-methylimidazo[1,2-a]pyridin-6-yl]piperazin-1-yl]-1-(3-hydroxyazetidin-1-yl)ethanone.

What is the SMILES notation for 2-[4-[2-ethyl-3-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]-8-methylimidazo[1,2-a]pyridin-6-yl]piperazin-1-yl]-1-(3-hydroxyazetidin-1-yl)ethanone?

The canonical SMILES for 2-[4-[2-ethyl-3-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]-8-methylimidazo[1,2-a]pyridin-6-yl]piperazin-1-yl]-1-(3-hydroxyazetidin-1-yl)ethanone is CCc1nc2c(C)cc(N3CCN(CC(=O)N4CC(O)C4)CC3)cn2c1N(C)c1nc(-c2ccc(F)cc2)cs1.

What is the InChIKey of 2-[4-[2-ethyl-3-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]-8-methylimidazo[1,2-a]pyridin-6-yl]piperazin-1-yl]-1-(3-hydroxyazetidin-1-yl)ethanone?

The InChIKey is PGZHYJGQWOOUAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H34FN7O2S/c1-4-24-28(33(3)29-32-25(18-40-29)20-5-7-21(30)8-6-20)37-14-22(13-19(2)27(37)31-24)35-11-9-34(10-12-35)17-26(39)36-15-23(38)16-36/h5-8,13-14,18,23,38H,4,9-12,15-17H2,1-3H3.

What are the key properties of 2-[4-[2-ethyl-3-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]-8-methylimidazo[1,2-a]pyridin-6-yl]piperazin-1-yl]-1-(3-hydroxyazetidin-1-yl)ethanone?

2-[4-[2-ethyl-3-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]-8-methylimidazo[1,2-a]pyridin-6-yl]piperazin-1-yl]-1-(3-hydroxyazetidin-1-yl)ethanone has a molecular weight of 563.70 g/mol, XLogP of 3.56, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-[2-ethyl-3-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]-8-methylimidazo[1,2-a]pyridin-6-yl]piperazin-1-yl]-1-(3-hydroxyazetidin-1-yl)ethanone is sourced from PubChem (CID 78427639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).