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

C29H33FN6O2S — CID 123586552

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

6-[[4-[2-ethyl-3-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]imidazo[1,2-a]pyridin-6-yl]piperidin-1-yl]methyl]morpholin-2-one (PubChem CID 123586552) has the molecular formula C29H33FN6O2S and a molecular weight of 548.69 g/mol. Its IUPAC name is 6-[[4-[2-ethyl-3-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]imidazo[1,2-a]pyridin-6-yl]piperidin-1-yl]methyl]morpholin-2-one.

Molecular Properties

• Compound Name: 6-[[4-[2-ethyl-3-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]imidazo[1,2-a]pyridin-6-yl]piperidin-1-yl]methyl]morpholin-2-one
• PubChem CID: 123586552
• Molecular Formula: C29H33FN6O2S
• Molecular Weight: 548.69 g/mol
• Exact Mass: 548.24
• IUPAC Name: 6-[[4-[2-ethyl-3-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]imidazo[1,2-a]pyridin-6-yl]piperidin-1-yl]methyl]morpholin-2-one
• SMILES: CCc1nc2ccc(C3CCN(CC4CNCC(=O)O4)CC3)cn2c1N(C)c1nc(-c2ccc(F)cc2)cs1
• InChI: InChI=1S/C29H33FN6O2S/c1-3-24-28(34(2)29-33-25(18-39-29)20-4-7-22(30)8-5-20)36-16-21(6-9-26(36)32-24)19-10-12-35(13-11-19)17-23-14-31-15-27(37)38-23/h4-9,16,18-19,23,31H,3,10-15,17H2,1-2H3
• InChIKey: ANMYBQUKGBLSTF-UHFFFAOYSA-N
• XLogP: 4.62
• TPSA: 75.00 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 7
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	548.69
LogP ≤ 5	4.62
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

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

The IUPAC name of 6-[[4-[2-ethyl-3-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]imidazo[1,2-a]pyridin-6-yl]piperidin-1-yl]methyl]morpholin-2-one (CID 123586552) is 6-[[4-[2-ethyl-3-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]imidazo[1,2-a]pyridin-6-yl]piperidin-1-yl]methyl]morpholin-2-one.

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

The canonical SMILES for 6-[[4-[2-ethyl-3-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]imidazo[1,2-a]pyridin-6-yl]piperidin-1-yl]methyl]morpholin-2-one is CCc1nc2ccc(C3CCN(CC4CNCC(=O)O4)CC3)cn2c1N(C)c1nc(-c2ccc(F)cc2)cs1.

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

The InChIKey is ANMYBQUKGBLSTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H33FN6O2S/c1-3-24-28(34(2)29-33-25(18-39-29)20-4-7-22(30)8-5-20)36-16-21(6-9-26(36)32-24)19-10-12-35(13-11-19)17-23-14-31-15-27(37)38-23/h4-9,16,18-19,23,31H,3,10-15,17H2,1-2H3.

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

6-[[4-[2-ethyl-3-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]imidazo[1,2-a]pyridin-6-yl]piperidin-1-yl]methyl]morpholin-2-one has a molecular weight of 548.69 g/mol, XLogP of 4.62, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[[4-[2-ethyl-3-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]imidazo[1,2-a]pyridin-6-yl]piperidin-1-yl]methyl]morpholin-2-one is sourced from PubChem (CID 123586552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).