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

C28H32FN7OS — CID 78428032

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

1-(azetidin-1-yl)-2-[4-[2-ethyl-3-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]imidazo[1,2-a]pyridin-6-yl]piperazin-1-yl]ethanone (PubChem CID 78428032) has the molecular formula C28H32FN7OS and a molecular weight of 533.68 g/mol. Its IUPAC name is 1-(azetidin-1-yl)-2-[4-[2-ethyl-3-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]imidazo[1,2-a]pyridin-6-yl]piperazin-1-yl]ethanone.

Molecular Properties

• Compound Name: 1-(azetidin-1-yl)-2-[4-[2-ethyl-3-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]imidazo[1,2-a]pyridin-6-yl]piperazin-1-yl]ethanone
• PubChem CID: 78428032
• Molecular Formula: C28H32FN7OS
• Molecular Weight: 533.68 g/mol
• Exact Mass: 533.24
• IUPAC Name: 1-(azetidin-1-yl)-2-[4-[2-ethyl-3-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]imidazo[1,2-a]pyridin-6-yl]piperazin-1-yl]ethanone
• SMILES: CCc1nc2ccc(N3CCN(CC(=O)N4CCC4)CC3)cn2c1N(C)c1nc(-c2ccc(F)cc2)cs1
• InChI: InChI=1S/C28H32FN7OS/c1-3-23-27(32(2)28-31-24(19-38-28)20-5-7-21(29)8-6-20)36-17-22(9-10-25(36)30-23)34-15-13-33(14-16-34)18-26(37)35-11-4-12-35/h5-10,17,19H,3-4,11-16,18H2,1-2H3
• InChIKey: CNZBGFWSADCVEP-UHFFFAOYSA-N
• XLogP: 4.28
• TPSA: 60.22 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	533.68
LogP ≤ 5	4.28
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

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

The IUPAC name of 1-(azetidin-1-yl)-2-[4-[2-ethyl-3-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]imidazo[1,2-a]pyridin-6-yl]piperazin-1-yl]ethanone (CID 78428032) is 1-(azetidin-1-yl)-2-[4-[2-ethyl-3-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]imidazo[1,2-a]pyridin-6-yl]piperazin-1-yl]ethanone.

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

The canonical SMILES for 1-(azetidin-1-yl)-2-[4-[2-ethyl-3-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]imidazo[1,2-a]pyridin-6-yl]piperazin-1-yl]ethanone is CCc1nc2ccc(N3CCN(CC(=O)N4CCC4)CC3)cn2c1N(C)c1nc(-c2ccc(F)cc2)cs1.

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

The InChIKey is CNZBGFWSADCVEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H32FN7OS/c1-3-23-27(32(2)28-31-24(19-38-28)20-5-7-21(29)8-6-20)36-17-22(9-10-25(36)30-23)34-15-13-33(14-16-34)18-26(37)35-11-4-12-35/h5-10,17,19H,3-4,11-16,18H2,1-2H3.

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

1-(azetidin-1-yl)-2-[4-[2-ethyl-3-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]imidazo[1,2-a]pyridin-6-yl]piperazin-1-yl]ethanone has a molecular weight of 533.68 g/mol, XLogP of 4.28, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(azetidin-1-yl)-2-[4-[2-ethyl-3-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]imidazo[1,2-a]pyridin-6-yl]piperazin-1-yl]ethanone is sourced from PubChem (CID 78428032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).