(5S)-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]-1,3-oxazolidin-2-one

C28H31FN6O2S — CID 90420609

About (5S)-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]-1,3-oxazolidin-2-one

(5S)-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]-1,3-oxazolidin-2-one (PubChem CID 90420609) has the molecular formula C28H31FN6O2S and a molecular weight of 534.66 g/mol. Its IUPAC name is (5S)-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]-1,3-oxazolidin-2-one.

Molecular Properties

• Compound Name: (5S)-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]-1,3-oxazolidin-2-one
• PubChem CID: 90420609
• Molecular Formula: C28H31FN6O2S
• Molecular Weight: 534.66 g/mol
• Exact Mass: 534.22
• IUPAC Name: (5S)-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]-1,3-oxazolidin-2-one
• SMILES: CCc1nc2ccc(C3CCN(C[C@@H]4CNC(=O)O4)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)35-15-20(6-9-25(35)31-23)18-10-12-34(13-11-18)16-22-14-30-28(36)37-22/h4-9,15,17-18,22H,3,10-14,16H2,1-2H3,(H,30,36)/t22-/m0/s1
• InChIKey: SOWLPNYWLOHUPY-QFIPXVFZSA-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 (5S)-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]-1,3-oxazolidin-2-one?

The IUPAC name of (5S)-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]-1,3-oxazolidin-2-one (CID 90420609) is (5S)-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]-1,3-oxazolidin-2-one.

What is the SMILES notation for (5S)-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]-1,3-oxazolidin-2-one?

The canonical SMILES for (5S)-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]-1,3-oxazolidin-2-one is CCc1nc2ccc(C3CCN(C[C@@H]4CNC(=O)O4)CC3)cn2c1N(C)c1nc(-c2ccc(F)cc2)cs1.

What is the InChIKey of (5S)-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]-1,3-oxazolidin-2-one?

The InChIKey is SOWLPNYWLOHUPY-QFIPXVFZSA-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)35-15-20(6-9-25(35)31-23)18-10-12-34(13-11-18)16-22-14-30-28(36)37-22/h4-9,15,17-18,22H,3,10-14,16H2,1-2H3,(H,30,36)/t22-/m0/s1.

What are the key properties of (5S)-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]-1,3-oxazolidin-2-one?

(5S)-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]-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 (5S)-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]-1,3-oxazolidin-2-one is sourced from PubChem (CID 90420609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).