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

C28H31FN6O2S — CID 78427640

About [2-[4-[2-ethyl-3-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]imidazo[1,2-a]pyridin-6-yl]piperidin-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]piperidin-1-yl]-4,5-dihydro-1,3-oxazol-5-yl]methanol (PubChem CID 78427640) has the molecular formula C28H31FN6O2S and a molecular weight of 534.66 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]piperidin-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]piperidin-1-yl]-4,5-dihydro-1,3-oxazol-5-yl]methanol
• PubChem CID: 78427640
• Molecular Formula: C28H31FN6O2S
• Molecular Weight: 534.66 g/mol
• Exact Mass: 534.22
• IUPAC Name: [2-[4-[2-ethyl-3-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]imidazo[1,2-a]pyridin-6-yl]piperidin-1-yl]-4,5-dihydro-1,3-oxazol-5-yl]methanol
• SMILES: CCc1nc2ccc(C3CCN(C4=NCC(CO)O4)CC3)cn2c1N(C)c1nc(-c2ccc(F)cc2)cs1
• InChI: InChI=1S/C28H31FN6O2S/c1-3-23-26(33(2)28-32-24(17-38-28)19-4-7-21(29)8-5-19)35-15-20(6-9-25(35)31-23)18-10-12-34(13-11-18)27-30-14-22(16-36)37-27/h4-9,15,17-18,22,36H,3,10-14,16H2,1-2H3
• InChIKey: NMEMMIGJVDDDKU-UHFFFAOYSA-N
• XLogP: 4.85
• TPSA: 78.49 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 6
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	534.66
LogP ≤ 5	4.85
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

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]piperidin-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]piperidin-1-yl]-4,5-dihydro-1,3-oxazol-5-yl]methanol (CID 78427640) is [2-[4-[2-ethyl-3-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]imidazo[1,2-a]pyridin-6-yl]piperidin-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]piperidin-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]piperidin-1-yl]-4,5-dihydro-1,3-oxazol-5-yl]methanol is CCc1nc2ccc(C3CCN(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]piperidin-1-yl]-4,5-dihydro-1,3-oxazol-5-yl]methanol?

The InChIKey is NMEMMIGJVDDDKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H31FN6O2S/c1-3-23-26(33(2)28-32-24(17-38-28)19-4-7-21(29)8-5-19)35-15-20(6-9-25(35)31-23)18-10-12-34(13-11-18)27-30-14-22(16-36)37-27/h4-9,15,17-18,22,36H,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]piperidin-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]piperidin-1-yl]-4,5-dihydro-1,3-oxazol-5-yl]methanol has a molecular weight of 534.66 g/mol, XLogP of 4.85, 6 rotatable bonds, 1 hydrogen bond donors, and 9 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]piperidin-1-yl]-4,5-dihydro-1,3-oxazol-5-yl]methanol is sourced from PubChem (CID 78427640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).