[2-[4-[2-ethyl-3-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]imidazo[1,2-a]pyridin-6-yl]piperazin-1-yl]-4,5-dihydro-1,3-oxazol-5-yl]methanol

C27H30FN7O2S — CID 90421151

About [2-[4-[2-ethyl-3-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]imidazo[1,2-a]pyridin-6-yl]piperazin-1-yl]-4,5-dihydro-1,3-oxazol-5-yl]methanol

[2-[4-[2-ethyl-3-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]imidazo[1,2-a]pyridin-6-yl]piperazin-1-yl]-4,5-dihydro-1,3-oxazol-5-yl]methanol (PubChem CID 90421151) has the molecular formula C27H30FN7O2S and a molecular weight of 535.65 g/mol. Its IUPAC name is [2-[4-[2-ethyl-3-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]imidazo[1,2-a]pyridin-6-yl]piperazin-1-yl]-4,5-dihydro-1,3-oxazol-5-yl]methanol.

Molecular Properties

• Compound Name: [2-[4-[2-ethyl-3-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]imidazo[1,2-a]pyridin-6-yl]piperazin-1-yl]-4,5-dihydro-1,3-oxazol-5-yl]methanol
• PubChem CID: 90421151
• Molecular Formula: C27H30FN7O2S
• Molecular Weight: 535.65 g/mol
• Exact Mass: 535.22
• IUPAC Name: [2-[4-[2-ethyl-3-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]imidazo[1,2-a]pyridin-6-yl]piperazin-1-yl]-4,5-dihydro-1,3-oxazol-5-yl]methanol
• SMILES: CCc1nc2ccc(N3CCN(C4=NCC(CO)O4)CC3)cn2c1N(C)c1nc(-c2ccc(F)cc2)cs1
• InChI: InChI=1S/C27H30FN7O2S/c1-3-22-25(32(2)27-31-23(17-38-27)18-4-6-19(28)7-5-18)35-15-20(8-9-24(35)30-22)33-10-12-34(13-11-33)26-29-14-21(16-36)37-26/h4-9,15,17,21,36H,3,10-14,16H2,1-2H3
• InChIKey: GNWJVKKQWTWPSY-UHFFFAOYSA-N
• XLogP: 3.80
• TPSA: 81.73 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 10
• Rotatable Bonds: 6
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	535.65
LogP ≤ 5	3.80
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of [2-[4-[2-ethyl-3-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]imidazo[1,2-a]pyridin-6-yl]piperazin-1-yl]-4,5-dihydro-1,3-oxazol-5-yl]methanol?

The IUPAC name of [2-[4-[2-ethyl-3-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]imidazo[1,2-a]pyridin-6-yl]piperazin-1-yl]-4,5-dihydro-1,3-oxazol-5-yl]methanol (CID 90421151) is [2-[4-[2-ethyl-3-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]imidazo[1,2-a]pyridin-6-yl]piperazin-1-yl]-4,5-dihydro-1,3-oxazol-5-yl]methanol.

What is the SMILES notation for [2-[4-[2-ethyl-3-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]imidazo[1,2-a]pyridin-6-yl]piperazin-1-yl]-4,5-dihydro-1,3-oxazol-5-yl]methanol?

The canonical SMILES for [2-[4-[2-ethyl-3-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]imidazo[1,2-a]pyridin-6-yl]piperazin-1-yl]-4,5-dihydro-1,3-oxazol-5-yl]methanol is CCc1nc2ccc(N3CCN(C4=NCC(CO)O4)CC3)cn2c1N(C)c1nc(-c2ccc(F)cc2)cs1.

What is the InChIKey of [2-[4-[2-ethyl-3-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]imidazo[1,2-a]pyridin-6-yl]piperazin-1-yl]-4,5-dihydro-1,3-oxazol-5-yl]methanol?

The InChIKey is GNWJVKKQWTWPSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30FN7O2S/c1-3-22-25(32(2)27-31-23(17-38-27)18-4-6-19(28)7-5-18)35-15-20(8-9-24(35)30-22)33-10-12-34(13-11-33)26-29-14-21(16-36)37-26/h4-9,15,17,21,36H,3,10-14,16H2,1-2H3.

What are the key properties of [2-[4-[2-ethyl-3-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]imidazo[1,2-a]pyridin-6-yl]piperazin-1-yl]-4,5-dihydro-1,3-oxazol-5-yl]methanol?

[2-[4-[2-ethyl-3-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]imidazo[1,2-a]pyridin-6-yl]piperazin-1-yl]-4,5-dihydro-1,3-oxazol-5-yl]methanol has a molecular weight of 535.65 g/mol, XLogP of 3.80, 6 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for [2-[4-[2-ethyl-3-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]imidazo[1,2-a]pyridin-6-yl]piperazin-1-yl]-4,5-dihydro-1,3-oxazol-5-yl]methanol is sourced from PubChem (CID 90421151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).