[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 90421150

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 90421150) 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: 90421150
• 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)cn2c1NCc1nc(-c2ccc(F)cc2)cs1
• InChI: InChI=1S/C27H30FN7O2S/c1-2-22-26(29-14-25-32-23(17-38-25)18-3-5-19(28)6-4-18)35-15-20(7-8-24(35)31-22)33-9-11-34(12-10-33)27-30-13-21(16-36)37-27/h3-8,15,17,21,29,36H,2,9-14,16H2,1H3
• InChIKey: GZHMKFOUEMNNJC-UHFFFAOYSA-N
• XLogP: 3.64
• TPSA: 90.52 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 10
• Rotatable Bonds: 7
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	535.65
LogP ≤ 5	3.64
H-Bond Donors ≤ 5	2
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 90421150) 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)cn2c1NCc1nc(-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 GZHMKFOUEMNNJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30FN7O2S/c1-2-22-26(29-14-25-32-23(17-38-25)18-3-5-19(28)6-4-18)35-15-20(7-8-24(35)31-22)33-9-11-34(12-10-33)27-30-13-21(16-36)37-27/h3-8,15,17,21,29,36H,2,9-14,16H2,1H3.

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 3.64, 7 rotatable bonds, 2 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 90421150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).