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

C29H24F2N4O2S — CID 142728579

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

[2-[2-ethyl-3-[2-fluoro-4-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-3-methylphenyl]imidazo[1,2-a]pyridin-6-yl]-4,5-dihydro-1,3-oxazol-4-yl]methanol (PubChem CID 142728579) has the molecular formula C29H24F2N4O2S and a molecular weight of 530.60 g/mol. Its IUPAC name is [2-[2-ethyl-3-[2-fluoro-4-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-3-methylphenyl]imidazo[1,2-a]pyridin-6-yl]-4,5-dihydro-1,3-oxazol-4-yl]methanol.

Molecular Properties

• Compound Name: [2-[2-ethyl-3-[2-fluoro-4-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-3-methylphenyl]imidazo[1,2-a]pyridin-6-yl]-4,5-dihydro-1,3-oxazol-4-yl]methanol
• PubChem CID: 142728579
• Molecular Formula: C29H24F2N4O2S
• Molecular Weight: 530.60 g/mol
• Exact Mass: 530.16
• IUPAC Name: [2-[2-ethyl-3-[2-fluoro-4-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-3-methylphenyl]imidazo[1,2-a]pyridin-6-yl]-4,5-dihydro-1,3-oxazol-4-yl]methanol
• SMILES: CCc1nc2ccc(C3=NC(CO)CO3)cn2c1-c1ccc(-c2nc(-c3ccc(F)cc3)cs2)c(C)c1F
• InChI: InChI=1S/C29H24F2N4O2S/c1-3-23-27(35-12-18(6-11-25(35)33-23)28-32-20(13-36)14-37-28)22-10-9-21(16(2)26(22)31)29-34-24(15-38-29)17-4-7-19(30)8-5-17/h4-12,15,20,36H,3,13-14H2,1-2H3
• InChIKey: FKYVDSUWFABYKW-UHFFFAOYSA-N
• XLogP: 6.08
• TPSA: 72.01 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	530.60
LogP ≤ 5	6.08
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of [2-[2-ethyl-3-[2-fluoro-4-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-3-methylphenyl]imidazo[1,2-a]pyridin-6-yl]-4,5-dihydro-1,3-oxazol-4-yl]methanol (CID 142728579) is [2-[2-ethyl-3-[2-fluoro-4-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-3-methylphenyl]imidazo[1,2-a]pyridin-6-yl]-4,5-dihydro-1,3-oxazol-4-yl]methanol.

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

The canonical SMILES for [2-[2-ethyl-3-[2-fluoro-4-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-3-methylphenyl]imidazo[1,2-a]pyridin-6-yl]-4,5-dihydro-1,3-oxazol-4-yl]methanol is CCc1nc2ccc(C3=NC(CO)CO3)cn2c1-c1ccc(-c2nc(-c3ccc(F)cc3)cs2)c(C)c1F.

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

The InChIKey is FKYVDSUWFABYKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H24F2N4O2S/c1-3-23-27(35-12-18(6-11-25(35)33-23)28-32-20(13-36)14-37-28)22-10-9-21(16(2)26(22)31)29-34-24(15-38-29)17-4-7-19(30)8-5-17/h4-12,15,20,36H,3,13-14H2,1-2H3.

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

[2-[2-ethyl-3-[2-fluoro-4-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-3-methylphenyl]imidazo[1,2-a]pyridin-6-yl]-4,5-dihydro-1,3-oxazol-4-yl]methanol has a molecular weight of 530.60 g/mol, XLogP of 6.08, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for [2-[2-ethyl-3-[2-fluoro-4-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-3-methylphenyl]imidazo[1,2-a]pyridin-6-yl]-4,5-dihydro-1,3-oxazol-4-yl]methanol is sourced from PubChem (CID 142728579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).