2-[3-[1-[2-ethyl-3-[2-fluoro-4-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-3-methylphenyl]imidazo[1,2-a]pyridin-6-yl]azetidin-3-yl]-2-fluorophenyl]-1-(3-hydroxyazetidin-1-yl)ethanone

C39H34F3N5O2S — CID 142728585

About 2-[3-[1-[2-ethyl-3-[2-fluoro-4-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-3-methylphenyl]imidazo[1,2-a]pyridin-6-yl]azetidin-3-yl]-2-fluorophenyl]-1-(3-hydroxyazetidin-1-yl)ethanone

2-[3-[1-[2-ethyl-3-[2-fluoro-4-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-3-methylphenyl]imidazo[1,2-a]pyridin-6-yl]azetidin-3-yl]-2-fluorophenyl]-1-(3-hydroxyazetidin-1-yl)ethanone (PubChem CID 142728585) has the molecular formula C39H34F3N5O2S and a molecular weight of 693.80 g/mol. Its IUPAC name is 2-[3-[1-[2-ethyl-3-[2-fluoro-4-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-3-methylphenyl]imidazo[1,2-a]pyridin-6-yl]azetidin-3-yl]-2-fluorophenyl]-1-(3-hydroxyazetidin-1-yl)ethanone.

Molecular Properties

• Compound Name: 2-[3-[1-[2-ethyl-3-[2-fluoro-4-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-3-methylphenyl]imidazo[1,2-a]pyridin-6-yl]azetidin-3-yl]-2-fluorophenyl]-1-(3-hydroxyazetidin-1-yl)ethanone
• PubChem CID: 142728585
• Molecular Formula: C39H34F3N5O2S
• Molecular Weight: 693.80 g/mol
• Exact Mass: 693.24
• IUPAC Name: 2-[3-[1-[2-ethyl-3-[2-fluoro-4-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-3-methylphenyl]imidazo[1,2-a]pyridin-6-yl]azetidin-3-yl]-2-fluorophenyl]-1-(3-hydroxyazetidin-1-yl)ethanone
• SMILES: CCc1nc2ccc(N3CC(c4cccc(CC(=O)N5CC(O)C5)c4F)C3)cn2c1-c1ccc(-c2nc(-c3ccc(F)cc3)cs2)c(C)c1F
• InChI: InChI=1S/C39H34F3N5O2S/c1-3-32-38(31-13-12-29(22(2)36(31)41)39-44-33(21-50-39)23-7-9-26(40)10-8-23)47-18-27(11-14-34(47)43-32)45-16-25(17-45)30-6-4-5-24(37(30)42)15-35(49)46-19-28(48)20-46/h4-14,18,21,25,28,48H,3,15-17,19-20H2,1-2H3
• InChIKey: VWZDIJQTXCXCHX-UHFFFAOYSA-N
• XLogP: 7.43
• TPSA: 73.97 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 50
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	693.80
LogP ≤ 5	7.43
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 2-[3-[1-[2-ethyl-3-[2-fluoro-4-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-3-methylphenyl]imidazo[1,2-a]pyridin-6-yl]azetidin-3-yl]-2-fluorophenyl]-1-(3-hydroxyazetidin-1-yl)ethanone?

The IUPAC name of 2-[3-[1-[2-ethyl-3-[2-fluoro-4-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-3-methylphenyl]imidazo[1,2-a]pyridin-6-yl]azetidin-3-yl]-2-fluorophenyl]-1-(3-hydroxyazetidin-1-yl)ethanone (CID 142728585) is 2-[3-[1-[2-ethyl-3-[2-fluoro-4-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-3-methylphenyl]imidazo[1,2-a]pyridin-6-yl]azetidin-3-yl]-2-fluorophenyl]-1-(3-hydroxyazetidin-1-yl)ethanone.

What is the SMILES notation for 2-[3-[1-[2-ethyl-3-[2-fluoro-4-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-3-methylphenyl]imidazo[1,2-a]pyridin-6-yl]azetidin-3-yl]-2-fluorophenyl]-1-(3-hydroxyazetidin-1-yl)ethanone?

The canonical SMILES for 2-[3-[1-[2-ethyl-3-[2-fluoro-4-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-3-methylphenyl]imidazo[1,2-a]pyridin-6-yl]azetidin-3-yl]-2-fluorophenyl]-1-(3-hydroxyazetidin-1-yl)ethanone is CCc1nc2ccc(N3CC(c4cccc(CC(=O)N5CC(O)C5)c4F)C3)cn2c1-c1ccc(-c2nc(-c3ccc(F)cc3)cs2)c(C)c1F.

What is the InChIKey of 2-[3-[1-[2-ethyl-3-[2-fluoro-4-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-3-methylphenyl]imidazo[1,2-a]pyridin-6-yl]azetidin-3-yl]-2-fluorophenyl]-1-(3-hydroxyazetidin-1-yl)ethanone?

The InChIKey is VWZDIJQTXCXCHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H34F3N5O2S/c1-3-32-38(31-13-12-29(22(2)36(31)41)39-44-33(21-50-39)23-7-9-26(40)10-8-23)47-18-27(11-14-34(47)43-32)45-16-25(17-45)30-6-4-5-24(37(30)42)15-35(49)46-19-28(48)20-46/h4-14,18,21,25,28,48H,3,15-17,19-20H2,1-2H3.

What are the key properties of 2-[3-[1-[2-ethyl-3-[2-fluoro-4-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-3-methylphenyl]imidazo[1,2-a]pyridin-6-yl]azetidin-3-yl]-2-fluorophenyl]-1-(3-hydroxyazetidin-1-yl)ethanone?

2-[3-[1-[2-ethyl-3-[2-fluoro-4-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-3-methylphenyl]imidazo[1,2-a]pyridin-6-yl]azetidin-3-yl]-2-fluorophenyl]-1-(3-hydroxyazetidin-1-yl)ethanone has a molecular weight of 693.80 g/mol, XLogP of 7.43, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-[1-[2-ethyl-3-[2-fluoro-4-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-3-methylphenyl]imidazo[1,2-a]pyridin-6-yl]azetidin-3-yl]-2-fluorophenyl]-1-(3-hydroxyazetidin-1-yl)ethanone is sourced from PubChem (CID 142728585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).