5-[[4-[2-ethyl-3-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]imidazo[1,2-a]pyridin-6-yl]piperidin-1-yl]methyl]-3-methyl-1,3-oxazolidin-2-one

C29H33FN6O2S — CID 90420121

About 5-[[4-[2-ethyl-3-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]imidazo[1,2-a]pyridin-6-yl]piperidin-1-yl]methyl]-3-methyl-1,3-oxazolidin-2-one

5-[[4-[2-ethyl-3-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]imidazo[1,2-a]pyridin-6-yl]piperidin-1-yl]methyl]-3-methyl-1,3-oxazolidin-2-one (PubChem CID 90420121) has the molecular formula C29H33FN6O2S and a molecular weight of 548.69 g/mol. Its IUPAC name is 5-[[4-[2-ethyl-3-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]imidazo[1,2-a]pyridin-6-yl]piperidin-1-yl]methyl]-3-methyl-1,3-oxazolidin-2-one.

Molecular Properties

• Compound Name: 5-[[4-[2-ethyl-3-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]imidazo[1,2-a]pyridin-6-yl]piperidin-1-yl]methyl]-3-methyl-1,3-oxazolidin-2-one
• PubChem CID: 90420121
• Molecular Formula: C29H33FN6O2S
• Molecular Weight: 548.69 g/mol
• Exact Mass: 548.24
• IUPAC Name: 5-[[4-[2-ethyl-3-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]imidazo[1,2-a]pyridin-6-yl]piperidin-1-yl]methyl]-3-methyl-1,3-oxazolidin-2-one
• SMILES: CCc1nc2ccc(C3CCN(CC4CN(C)C(=O)O4)CC3)cn2c1N(C)c1nc(-c2ccc(F)cc2)cs1
• InChI: InChI=1S/C29H33FN6O2S/c1-4-24-27(34(3)28-32-25(18-39-28)20-5-8-22(30)9-6-20)36-15-21(7-10-26(36)31-24)19-11-13-35(14-12-19)17-23-16-33(2)29(37)38-23/h5-10,15,18-19,23H,4,11-14,16-17H2,1-3H3
• InChIKey: HGJUDIAXZIBFRT-UHFFFAOYSA-N
• XLogP: 5.56
• TPSA: 66.21 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	548.69
LogP ≤ 5	5.56
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 5-[[4-[2-ethyl-3-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]imidazo[1,2-a]pyridin-6-yl]piperidin-1-yl]methyl]-3-methyl-1,3-oxazolidin-2-one?

The IUPAC name of 5-[[4-[2-ethyl-3-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]imidazo[1,2-a]pyridin-6-yl]piperidin-1-yl]methyl]-3-methyl-1,3-oxazolidin-2-one (CID 90420121) is 5-[[4-[2-ethyl-3-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]imidazo[1,2-a]pyridin-6-yl]piperidin-1-yl]methyl]-3-methyl-1,3-oxazolidin-2-one.

What is the SMILES notation for 5-[[4-[2-ethyl-3-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]imidazo[1,2-a]pyridin-6-yl]piperidin-1-yl]methyl]-3-methyl-1,3-oxazolidin-2-one?

The canonical SMILES for 5-[[4-[2-ethyl-3-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]imidazo[1,2-a]pyridin-6-yl]piperidin-1-yl]methyl]-3-methyl-1,3-oxazolidin-2-one is CCc1nc2ccc(C3CCN(CC4CN(C)C(=O)O4)CC3)cn2c1N(C)c1nc(-c2ccc(F)cc2)cs1.

What is the InChIKey of 5-[[4-[2-ethyl-3-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]imidazo[1,2-a]pyridin-6-yl]piperidin-1-yl]methyl]-3-methyl-1,3-oxazolidin-2-one?

The InChIKey is HGJUDIAXZIBFRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H33FN6O2S/c1-4-24-27(34(3)28-32-25(18-39-28)20-5-8-22(30)9-6-20)36-15-21(7-10-26(36)31-24)19-11-13-35(14-12-19)17-23-16-33(2)29(37)38-23/h5-10,15,18-19,23H,4,11-14,16-17H2,1-3H3.

What are the key properties of 5-[[4-[2-ethyl-3-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]imidazo[1,2-a]pyridin-6-yl]piperidin-1-yl]methyl]-3-methyl-1,3-oxazolidin-2-one?

5-[[4-[2-ethyl-3-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]imidazo[1,2-a]pyridin-6-yl]piperidin-1-yl]methyl]-3-methyl-1,3-oxazolidin-2-one has a molecular weight of 548.69 g/mol, XLogP of 5.56, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[[4-[2-ethyl-3-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]imidazo[1,2-a]pyridin-6-yl]piperidin-1-yl]methyl]-3-methyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 90420121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).