4-[[4-[2-ethyl-3-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]imidazo[1,2-a]pyridin-6-yl]piperidin-1-yl]methyl]-1,3-oxazolidin-2-one

C28H31FN6O2S — CID 90421194

About 4-[[4-[2-ethyl-3-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]imidazo[1,2-a]pyridin-6-yl]piperidin-1-yl]methyl]-1,3-oxazolidin-2-one

4-[[4-[2-ethyl-3-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]imidazo[1,2-a]pyridin-6-yl]piperidin-1-yl]methyl]-1,3-oxazolidin-2-one (PubChem CID 90421194) has the molecular formula C28H31FN6O2S and a molecular weight of 534.66 g/mol. Its IUPAC name is 4-[[4-[2-ethyl-3-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]imidazo[1,2-a]pyridin-6-yl]piperidin-1-yl]methyl]-1,3-oxazolidin-2-one.

Molecular Properties

• Compound Name: 4-[[4-[2-ethyl-3-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]imidazo[1,2-a]pyridin-6-yl]piperidin-1-yl]methyl]-1,3-oxazolidin-2-one
• PubChem CID: 90421194
• Molecular Formula: C28H31FN6O2S
• Molecular Weight: 534.66 g/mol
• Exact Mass: 534.22
• IUPAC Name: 4-[[4-[2-ethyl-3-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]imidazo[1,2-a]pyridin-6-yl]piperidin-1-yl]methyl]-1,3-oxazolidin-2-one
• SMILES: CCc1nc2ccc(C3CCN(CC4COC(=O)N4)CC3)cn2c1N(C)c1nc(-c2ccc(F)cc2)cs1
• InChI: InChI=1S/C28H31FN6O2S/c1-3-23-26(33(2)27-32-24(17-38-27)19-4-7-21(29)8-5-19)35-14-20(6-9-25(35)31-23)18-10-12-34(13-11-18)15-22-16-37-28(36)30-22/h4-9,14,17-18,22H,3,10-13,15-16H2,1-2H3,(H,30,36)
• InChIKey: QLHNUNGTDZDYOC-UHFFFAOYSA-N
• XLogP: 5.22
• TPSA: 75.00 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	534.66
LogP ≤ 5	5.22
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 4-[[4-[2-ethyl-3-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]imidazo[1,2-a]pyridin-6-yl]piperidin-1-yl]methyl]-1,3-oxazolidin-2-one?

The IUPAC name of 4-[[4-[2-ethyl-3-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]imidazo[1,2-a]pyridin-6-yl]piperidin-1-yl]methyl]-1,3-oxazolidin-2-one (CID 90421194) is 4-[[4-[2-ethyl-3-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]imidazo[1,2-a]pyridin-6-yl]piperidin-1-yl]methyl]-1,3-oxazolidin-2-one.

What is the SMILES notation for 4-[[4-[2-ethyl-3-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]imidazo[1,2-a]pyridin-6-yl]piperidin-1-yl]methyl]-1,3-oxazolidin-2-one?

The canonical SMILES for 4-[[4-[2-ethyl-3-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]imidazo[1,2-a]pyridin-6-yl]piperidin-1-yl]methyl]-1,3-oxazolidin-2-one is CCc1nc2ccc(C3CCN(CC4COC(=O)N4)CC3)cn2c1N(C)c1nc(-c2ccc(F)cc2)cs1.

What is the InChIKey of 4-[[4-[2-ethyl-3-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]imidazo[1,2-a]pyridin-6-yl]piperidin-1-yl]methyl]-1,3-oxazolidin-2-one?

The InChIKey is QLHNUNGTDZDYOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H31FN6O2S/c1-3-23-26(33(2)27-32-24(17-38-27)19-4-7-21(29)8-5-19)35-14-20(6-9-25(35)31-23)18-10-12-34(13-11-18)15-22-16-37-28(36)30-22/h4-9,14,17-18,22H,3,10-13,15-16H2,1-2H3,(H,30,36).

What are the key properties of 4-[[4-[2-ethyl-3-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]imidazo[1,2-a]pyridin-6-yl]piperidin-1-yl]methyl]-1,3-oxazolidin-2-one?

4-[[4-[2-ethyl-3-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]imidazo[1,2-a]pyridin-6-yl]piperidin-1-yl]methyl]-1,3-oxazolidin-2-one has a molecular weight of 534.66 g/mol, XLogP of 5.22, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[[4-[2-ethyl-3-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]imidazo[1,2-a]pyridin-6-yl]piperidin-1-yl]methyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 90421194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).