1-[4-[2-ethyl-3-[2-fluoro-4-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-3-methylphenyl]imidazo[1,2-a]pyridin-6-yl]piperidin-1-yl]-3-(2-fluoro-3,4-dimethylphenyl)propan-1-one

C41H39F3N4OS — CID 142728516

About 1-[4-[2-ethyl-3-[2-fluoro-4-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-3-methylphenyl]imidazo[1,2-a]pyridin-6-yl]piperidin-1-yl]-3-(2-fluoro-3,4-dimethylphenyl)propan-1-one

1-[4-[2-ethyl-3-[2-fluoro-4-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-3-methylphenyl]imidazo[1,2-a]pyridin-6-yl]piperidin-1-yl]-3-(2-fluoro-3,4-dimethylphenyl)propan-1-one (PubChem CID 142728516) has the molecular formula C41H39F3N4OS and a molecular weight of 692.85 g/mol. Its IUPAC name is 1-[4-[2-ethyl-3-[2-fluoro-4-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-3-methylphenyl]imidazo[1,2-a]pyridin-6-yl]piperidin-1-yl]-3-(2-fluoro-3,4-dimethylphenyl)propan-1-one.

Molecular Properties

• Compound Name: 1-[4-[2-ethyl-3-[2-fluoro-4-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-3-methylphenyl]imidazo[1,2-a]pyridin-6-yl]piperidin-1-yl]-3-(2-fluoro-3,4-dimethylphenyl)propan-1-one
• PubChem CID: 142728516
• Molecular Formula: C41H39F3N4OS
• Molecular Weight: 692.85 g/mol
• Exact Mass: 692.28
• IUPAC Name: 1-[4-[2-ethyl-3-[2-fluoro-4-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-3-methylphenyl]imidazo[1,2-a]pyridin-6-yl]piperidin-1-yl]-3-(2-fluoro-3,4-dimethylphenyl)propan-1-one
• SMILES: CCc1nc2ccc(C3CCN(C(=O)CCc4ccc(C)c(C)c4F)CC3)cn2c1-c1ccc(-c2nc(-c3ccc(F)cc3)cs2)c(C)c1F
• InChI: InChI=1S/C41H39F3N4OS/c1-5-34-40(33-15-14-32(26(4)39(33)44)41-46-35(23-50-41)28-8-12-31(42)13-9-28)48-22-30(10-16-36(48)45-34)27-18-20-47(21-19-27)37(49)17-11-29-7-6-24(2)25(3)38(29)43/h6-10,12-16,22-23,27H,5,11,17-21H2,1-4H3
• InChIKey: ZHJIILCUZULMCA-UHFFFAOYSA-N
• XLogP: 10.04
• TPSA: 50.50 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 50
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	692.85
LogP ≤ 5	10.04
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 1-[4-[2-ethyl-3-[2-fluoro-4-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-3-methylphenyl]imidazo[1,2-a]pyridin-6-yl]piperidin-1-yl]-3-(2-fluoro-3,4-dimethylphenyl)propan-1-one?

The IUPAC name of 1-[4-[2-ethyl-3-[2-fluoro-4-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-3-methylphenyl]imidazo[1,2-a]pyridin-6-yl]piperidin-1-yl]-3-(2-fluoro-3,4-dimethylphenyl)propan-1-one (CID 142728516) is 1-[4-[2-ethyl-3-[2-fluoro-4-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-3-methylphenyl]imidazo[1,2-a]pyridin-6-yl]piperidin-1-yl]-3-(2-fluoro-3,4-dimethylphenyl)propan-1-one.

What is the SMILES notation for 1-[4-[2-ethyl-3-[2-fluoro-4-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-3-methylphenyl]imidazo[1,2-a]pyridin-6-yl]piperidin-1-yl]-3-(2-fluoro-3,4-dimethylphenyl)propan-1-one?

The canonical SMILES for 1-[4-[2-ethyl-3-[2-fluoro-4-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-3-methylphenyl]imidazo[1,2-a]pyridin-6-yl]piperidin-1-yl]-3-(2-fluoro-3,4-dimethylphenyl)propan-1-one is CCc1nc2ccc(C3CCN(C(=O)CCc4ccc(C)c(C)c4F)CC3)cn2c1-c1ccc(-c2nc(-c3ccc(F)cc3)cs2)c(C)c1F.

What is the InChIKey of 1-[4-[2-ethyl-3-[2-fluoro-4-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-3-methylphenyl]imidazo[1,2-a]pyridin-6-yl]piperidin-1-yl]-3-(2-fluoro-3,4-dimethylphenyl)propan-1-one?

The InChIKey is ZHJIILCUZULMCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H39F3N4OS/c1-5-34-40(33-15-14-32(26(4)39(33)44)41-46-35(23-50-41)28-8-12-31(42)13-9-28)48-22-30(10-16-36(48)45-34)27-18-20-47(21-19-27)37(49)17-11-29-7-6-24(2)25(3)38(29)43/h6-10,12-16,22-23,27H,5,11,17-21H2,1-4H3.

What are the key properties of 1-[4-[2-ethyl-3-[2-fluoro-4-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-3-methylphenyl]imidazo[1,2-a]pyridin-6-yl]piperidin-1-yl]-3-(2-fluoro-3,4-dimethylphenyl)propan-1-one?

1-[4-[2-ethyl-3-[2-fluoro-4-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-3-methylphenyl]imidazo[1,2-a]pyridin-6-yl]piperidin-1-yl]-3-(2-fluoro-3,4-dimethylphenyl)propan-1-one has a molecular weight of 692.85 g/mol, XLogP of 10.04, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[4-[2-ethyl-3-[2-fluoro-4-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-3-methylphenyl]imidazo[1,2-a]pyridin-6-yl]piperidin-1-yl]-3-(2-fluoro-3,4-dimethylphenyl)propan-1-one is sourced from PubChem (CID 142728516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).