6-(3-fluoro-4-propan-2-yloxyphenyl)-7-methyl-3-[6-methyl-4-[(2-methylpropan-2-yl)oxy]cyclohexa-1,3-dien-1-yl]imidazo[1,2-a]pyridine

C28H33FN2O2 — CID 163368685

About 6-(3-fluoro-4-propan-2-yloxyphenyl)-7-methyl-3-[6-methyl-4-[(2-methylpropan-2-yl)oxy]cyclohexa-1,3-dien-1-yl]imidazo[1,2-a]pyridine

6-(3-fluoro-4-propan-2-yloxyphenyl)-7-methyl-3-[6-methyl-4-[(2-methylpropan-2-yl)oxy]cyclohexa-1,3-dien-1-yl]imidazo[1,2-a]pyridine (PubChem CID 163368685) has the molecular formula C28H33FN2O2 and a molecular weight of 448.58 g/mol. Its IUPAC name is 6-(3-fluoro-4-propan-2-yloxyphenyl)-7-methyl-3-[6-methyl-4-[(2-methylpropan-2-yl)oxy]cyclohexa-1,3-dien-1-yl]imidazo[1,2-a]pyridine.

Molecular Properties

• Compound Name: 6-(3-fluoro-4-propan-2-yloxyphenyl)-7-methyl-3-[6-methyl-4-[(2-methylpropan-2-yl)oxy]cyclohexa-1,3-dien-1-yl]imidazo[1,2-a]pyridine
• PubChem CID: 163368685
• Molecular Formula: C28H33FN2O2
• Molecular Weight: 448.58 g/mol
• Exact Mass: 448.25
• IUPAC Name: 6-(3-fluoro-4-propan-2-yloxyphenyl)-7-methyl-3-[6-methyl-4-[(2-methylpropan-2-yl)oxy]cyclohexa-1,3-dien-1-yl]imidazo[1,2-a]pyridine
• SMILES: Cc1cc2ncc(C3=CC=C(OC(C)(C)C)CC3C)n2cc1-c1ccc(OC(C)C)c(F)c1
• InChI: InChI=1S/C28H33FN2O2/c1-17(2)32-26-11-8-20(14-24(26)29)23-16-31-25(15-30-27(31)13-19(23)4)22-10-9-21(12-18(22)3)33-28(5,6)7/h8-11,13-18H,12H2,1-7H3
• InChIKey: WFCGBQUNZREKQX-UHFFFAOYSA-N
• XLogP: 7.36
• TPSA: 35.76 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	448.58
LogP ≤ 5	7.36
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 6-(3-fluoro-4-propan-2-yloxyphenyl)-7-methyl-3-[6-methyl-4-[(2-methylpropan-2-yl)oxy]cyclohexa-1,3-dien-1-yl]imidazo[1,2-a]pyridine?

The IUPAC name of 6-(3-fluoro-4-propan-2-yloxyphenyl)-7-methyl-3-[6-methyl-4-[(2-methylpropan-2-yl)oxy]cyclohexa-1,3-dien-1-yl]imidazo[1,2-a]pyridine (CID 163368685) is 6-(3-fluoro-4-propan-2-yloxyphenyl)-7-methyl-3-[6-methyl-4-[(2-methylpropan-2-yl)oxy]cyclohexa-1,3-dien-1-yl]imidazo[1,2-a]pyridine.

What is the SMILES notation for 6-(3-fluoro-4-propan-2-yloxyphenyl)-7-methyl-3-[6-methyl-4-[(2-methylpropan-2-yl)oxy]cyclohexa-1,3-dien-1-yl]imidazo[1,2-a]pyridine?

The canonical SMILES for 6-(3-fluoro-4-propan-2-yloxyphenyl)-7-methyl-3-[6-methyl-4-[(2-methylpropan-2-yl)oxy]cyclohexa-1,3-dien-1-yl]imidazo[1,2-a]pyridine is Cc1cc2ncc(C3=CC=C(OC(C)(C)C)CC3C)n2cc1-c1ccc(OC(C)C)c(F)c1.

What is the InChIKey of 6-(3-fluoro-4-propan-2-yloxyphenyl)-7-methyl-3-[6-methyl-4-[(2-methylpropan-2-yl)oxy]cyclohexa-1,3-dien-1-yl]imidazo[1,2-a]pyridine?

The InChIKey is WFCGBQUNZREKQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H33FN2O2/c1-17(2)32-26-11-8-20(14-24(26)29)23-16-31-25(15-30-27(31)13-19(23)4)22-10-9-21(12-18(22)3)33-28(5,6)7/h8-11,13-18H,12H2,1-7H3.

What are the key properties of 6-(3-fluoro-4-propan-2-yloxyphenyl)-7-methyl-3-[6-methyl-4-[(2-methylpropan-2-yl)oxy]cyclohexa-1,3-dien-1-yl]imidazo[1,2-a]pyridine?

6-(3-fluoro-4-propan-2-yloxyphenyl)-7-methyl-3-[6-methyl-4-[(2-methylpropan-2-yl)oxy]cyclohexa-1,3-dien-1-yl]imidazo[1,2-a]pyridine has a molecular weight of 448.58 g/mol, XLogP of 7.36, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 6-(3-fluoro-4-propan-2-yloxyphenyl)-7-methyl-3-[6-methyl-4-[(2-methylpropan-2-yl)oxy]cyclohexa-1,3-dien-1-yl]imidazo[1,2-a]pyridine is sourced from PubChem (CID 163368685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).