2-[6-(2-fluoro-6-methoxyphenyl)-2-methylimidazo[1,2-a]pyridin-3-yl]-5-[1-(oxan-2-yl)-1,2,4-triazol-3-yl]-4-phenyl-1,3-thiazole

C31H27FN6O2S — CID 66855884

About 2-[6-(2-fluoro-6-methoxyphenyl)-2-methylimidazo[1,2-a]pyridin-3-yl]-5-[1-(oxan-2-yl)-1,2,4-triazol-3-yl]-4-phenyl-1,3-thiazole

2-[6-(2-fluoro-6-methoxyphenyl)-2-methylimidazo[1,2-a]pyridin-3-yl]-5-[1-(oxan-2-yl)-1,2,4-triazol-3-yl]-4-phenyl-1,3-thiazole (PubChem CID 66855884) has the molecular formula C31H27FN6O2S and a molecular weight of 566.66 g/mol. Its IUPAC name is 2-[6-(2-fluoro-6-methoxyphenyl)-2-methylimidazo[1,2-a]pyridin-3-yl]-5-[1-(oxan-2-yl)-1,2,4-triazol-3-yl]-4-phenyl-1,3-thiazole.

Molecular Properties

• Compound Name: 2-[6-(2-fluoro-6-methoxyphenyl)-2-methylimidazo[1,2-a]pyridin-3-yl]-5-[1-(oxan-2-yl)-1,2,4-triazol-3-yl]-4-phenyl-1,3-thiazole
• PubChem CID: 66855884
• Molecular Formula: C31H27FN6O2S
• Molecular Weight: 566.66 g/mol
• Exact Mass: 566.19
• IUPAC Name: 2-[6-(2-fluoro-6-methoxyphenyl)-2-methylimidazo[1,2-a]pyridin-3-yl]-5-[1-(oxan-2-yl)-1,2,4-triazol-3-yl]-4-phenyl-1,3-thiazole
• SMILES: COc1cccc(F)c1-c1ccc2nc(C)c(-c3nc(-c4ccccc4)c(-c4ncn(C5CCCCO5)n4)s3)n2c1
• InChI: InChI=1S/C31H27FN6O2S/c1-19-28(37-17-21(14-15-24(37)34-19)26-22(32)11-8-12-23(26)39-2)31-35-27(20-9-4-3-5-10-20)29(41-31)30-33-18-38(36-30)25-13-6-7-16-40-25/h3-5,8-12,14-15,17-18,25H,6-7,13,16H2,1-2H3
• InChIKey: CJVBFZGHNOUZCN-UHFFFAOYSA-N
• XLogP: 7.21
• TPSA: 79.36 Ų
• H-Bond Acceptors: 9
• Rotatable Bonds: 6
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	566.66
LogP ≤ 5	7.21
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 2-[6-(2-fluoro-6-methoxyphenyl)-2-methylimidazo[1,2-a]pyridin-3-yl]-5-[1-(oxan-2-yl)-1,2,4-triazol-3-yl]-4-phenyl-1,3-thiazole?

The IUPAC name of 2-[6-(2-fluoro-6-methoxyphenyl)-2-methylimidazo[1,2-a]pyridin-3-yl]-5-[1-(oxan-2-yl)-1,2,4-triazol-3-yl]-4-phenyl-1,3-thiazole (CID 66855884) is 2-[6-(2-fluoro-6-methoxyphenyl)-2-methylimidazo[1,2-a]pyridin-3-yl]-5-[1-(oxan-2-yl)-1,2,4-triazol-3-yl]-4-phenyl-1,3-thiazole.

What is the SMILES notation for 2-[6-(2-fluoro-6-methoxyphenyl)-2-methylimidazo[1,2-a]pyridin-3-yl]-5-[1-(oxan-2-yl)-1,2,4-triazol-3-yl]-4-phenyl-1,3-thiazole?

The canonical SMILES for 2-[6-(2-fluoro-6-methoxyphenyl)-2-methylimidazo[1,2-a]pyridin-3-yl]-5-[1-(oxan-2-yl)-1,2,4-triazol-3-yl]-4-phenyl-1,3-thiazole is COc1cccc(F)c1-c1ccc2nc(C)c(-c3nc(-c4ccccc4)c(-c4ncn(C5CCCCO5)n4)s3)n2c1.

What is the InChIKey of 2-[6-(2-fluoro-6-methoxyphenyl)-2-methylimidazo[1,2-a]pyridin-3-yl]-5-[1-(oxan-2-yl)-1,2,4-triazol-3-yl]-4-phenyl-1,3-thiazole?

The InChIKey is CJVBFZGHNOUZCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H27FN6O2S/c1-19-28(37-17-21(14-15-24(37)34-19)26-22(32)11-8-12-23(26)39-2)31-35-27(20-9-4-3-5-10-20)29(41-31)30-33-18-38(36-30)25-13-6-7-16-40-25/h3-5,8-12,14-15,17-18,25H,6-7,13,16H2,1-2H3.

What are the key properties of 2-[6-(2-fluoro-6-methoxyphenyl)-2-methylimidazo[1,2-a]pyridin-3-yl]-5-[1-(oxan-2-yl)-1,2,4-triazol-3-yl]-4-phenyl-1,3-thiazole?

2-[6-(2-fluoro-6-methoxyphenyl)-2-methylimidazo[1,2-a]pyridin-3-yl]-5-[1-(oxan-2-yl)-1,2,4-triazol-3-yl]-4-phenyl-1,3-thiazole has a molecular weight of 566.66 g/mol, XLogP of 7.21, 6 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[6-(2-fluoro-6-methoxyphenyl)-2-methylimidazo[1,2-a]pyridin-3-yl]-5-[1-(oxan-2-yl)-1,2,4-triazol-3-yl]-4-phenyl-1,3-thiazole is sourced from PubChem (CID 66855884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).