(2S)-2-[8-(2-fluorophenyl)-2-[3-(2-fluorophenyl)phenyl]-6-methylimidazo[1,2-a]pyridin-7-yl]-2-[(2-methylpropan-2-yl)oxy]acetic acid

C32H28F2N2O3 — CID 118326876

About (2S)-2-[8-(2-fluorophenyl)-2-[3-(2-fluorophenyl)phenyl]-6-methylimidazo[1,2-a]pyridin-7-yl]-2-[(2-methylpropan-2-yl)oxy]acetic acid

(2S)-2-[8-(2-fluorophenyl)-2-[3-(2-fluorophenyl)phenyl]-6-methylimidazo[1,2-a]pyridin-7-yl]-2-[(2-methylpropan-2-yl)oxy]acetic acid (PubChem CID 118326876) has the molecular formula C32H28F2N2O3 and a molecular weight of 526.58 g/mol. Its IUPAC name is (2S)-2-[8-(2-fluorophenyl)-2-[3-(2-fluorophenyl)phenyl]-6-methylimidazo[1,2-a]pyridin-7-yl]-2-[(2-methylpropan-2-yl)oxy]acetic acid.

Molecular Properties

• Compound Name: (2S)-2-[8-(2-fluorophenyl)-2-[3-(2-fluorophenyl)phenyl]-6-methylimidazo[1,2-a]pyridin-7-yl]-2-[(2-methylpropan-2-yl)oxy]acetic acid
• PubChem CID: 118326876
• Molecular Formula: C32H28F2N2O3
• Molecular Weight: 526.58 g/mol
• Exact Mass: 526.21
• IUPAC Name: (2S)-2-[8-(2-fluorophenyl)-2-[3-(2-fluorophenyl)phenyl]-6-methylimidazo[1,2-a]pyridin-7-yl]-2-[(2-methylpropan-2-yl)oxy]acetic acid
• SMILES: Cc1cn2cc(-c3cccc(-c4ccccc4F)c3)nc2c(-c2ccccc2F)c1[C@H](OC(C)(C)C)C(=O)O
• InChI: InChI=1S/C32H28F2N2O3/c1-19-17-36-18-26(21-11-9-10-20(16-21)22-12-5-7-14-24(22)33)35-30(36)28(23-13-6-8-15-25(23)34)27(19)29(31(37)38)39-32(2,3)4/h5-18,29H,1-4H3,(H,37,38)/t29-/m0/s1
• InChIKey: OXVUECLICNZEOE-LJAQVGFWSA-N
• XLogP: 7.86
• TPSA: 63.83 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	526.58
LogP ≤ 5	7.86
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[8-(2-fluorophenyl)-2-[3-(2-fluorophenyl)phenyl]-6-methylimidazo[1,2-a]pyridin-7-yl]-2-[(2-methylpropan-2-yl)oxy]acetic acid?

The IUPAC name of (2S)-2-[8-(2-fluorophenyl)-2-[3-(2-fluorophenyl)phenyl]-6-methylimidazo[1,2-a]pyridin-7-yl]-2-[(2-methylpropan-2-yl)oxy]acetic acid (CID 118326876) is (2S)-2-[8-(2-fluorophenyl)-2-[3-(2-fluorophenyl)phenyl]-6-methylimidazo[1,2-a]pyridin-7-yl]-2-[(2-methylpropan-2-yl)oxy]acetic acid.

What is the SMILES notation for (2S)-2-[8-(2-fluorophenyl)-2-[3-(2-fluorophenyl)phenyl]-6-methylimidazo[1,2-a]pyridin-7-yl]-2-[(2-methylpropan-2-yl)oxy]acetic acid?

The canonical SMILES for (2S)-2-[8-(2-fluorophenyl)-2-[3-(2-fluorophenyl)phenyl]-6-methylimidazo[1,2-a]pyridin-7-yl]-2-[(2-methylpropan-2-yl)oxy]acetic acid is Cc1cn2cc(-c3cccc(-c4ccccc4F)c3)nc2c(-c2ccccc2F)c1[C@H](OC(C)(C)C)C(=O)O.

What is the InChIKey of (2S)-2-[8-(2-fluorophenyl)-2-[3-(2-fluorophenyl)phenyl]-6-methylimidazo[1,2-a]pyridin-7-yl]-2-[(2-methylpropan-2-yl)oxy]acetic acid?

The InChIKey is OXVUECLICNZEOE-LJAQVGFWSA-N. The full InChI is InChI=1S/C32H28F2N2O3/c1-19-17-36-18-26(21-11-9-10-20(16-21)22-12-5-7-14-24(22)33)35-30(36)28(23-13-6-8-15-25(23)34)27(19)29(31(37)38)39-32(2,3)4/h5-18,29H,1-4H3,(H,37,38)/t29-/m0/s1.

What are the key properties of (2S)-2-[8-(2-fluorophenyl)-2-[3-(2-fluorophenyl)phenyl]-6-methylimidazo[1,2-a]pyridin-7-yl]-2-[(2-methylpropan-2-yl)oxy]acetic acid?

(2S)-2-[8-(2-fluorophenyl)-2-[3-(2-fluorophenyl)phenyl]-6-methylimidazo[1,2-a]pyridin-7-yl]-2-[(2-methylpropan-2-yl)oxy]acetic acid has a molecular weight of 526.58 g/mol, XLogP of 7.86, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for (2S)-2-[8-(2-fluorophenyl)-2-[3-(2-fluorophenyl)phenyl]-6-methylimidazo[1,2-a]pyridin-7-yl]-2-[(2-methylpropan-2-yl)oxy]acetic acid is sourced from PubChem (CID 118326876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).