3-[6-methyl-2-(4-phenylphenyl)imidazo[1,2-a]pyridin-3-yl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid

C28H29N3O4 — CID 170881184

About 3-[6-methyl-2-(4-phenylphenyl)imidazo[1,2-a]pyridin-3-yl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid

3-[6-methyl-2-(4-phenylphenyl)imidazo[1,2-a]pyridin-3-yl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid (PubChem CID 170881184) has the molecular formula C28H29N3O4 and a molecular weight of 471.56 g/mol. Its IUPAC name is 3-[6-methyl-2-(4-phenylphenyl)imidazo[1,2-a]pyridin-3-yl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid.

Molecular Properties

• Compound Name: 3-[6-methyl-2-(4-phenylphenyl)imidazo[1,2-a]pyridin-3-yl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
• PubChem CID: 170881184
• Molecular Formula: C28H29N3O4
• Molecular Weight: 471.56 g/mol
• Exact Mass: 471.22
• IUPAC Name: 3-[6-methyl-2-(4-phenylphenyl)imidazo[1,2-a]pyridin-3-yl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
• SMILES: Cc1ccc2nc(-c3ccc(-c4ccccc4)cc3)c(CC(NC(=O)OC(C)(C)C)C(=O)O)n2c1
• InChI: InChI=1S/C28H29N3O4/c1-18-10-15-24-30-25(21-13-11-20(12-14-21)19-8-6-5-7-9-19)23(31(24)17-18)16-22(26(32)33)29-27(34)35-28(2,3)4/h5-15,17,22H,16H2,1-4H3,(H,29,34)(H,32,33)
• InChIKey: QTJDYOLBMMJUNZ-UHFFFAOYSA-N
• XLogP: 5.50
• TPSA: 92.93 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	471.56
LogP ≤ 5	5.50
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 3-[6-methyl-2-(4-phenylphenyl)imidazo[1,2-a]pyridin-3-yl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid?

The IUPAC name of 3-[6-methyl-2-(4-phenylphenyl)imidazo[1,2-a]pyridin-3-yl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid (CID 170881184) is 3-[6-methyl-2-(4-phenylphenyl)imidazo[1,2-a]pyridin-3-yl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid.

What is the SMILES notation for 3-[6-methyl-2-(4-phenylphenyl)imidazo[1,2-a]pyridin-3-yl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid?

The canonical SMILES for 3-[6-methyl-2-(4-phenylphenyl)imidazo[1,2-a]pyridin-3-yl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid is Cc1ccc2nc(-c3ccc(-c4ccccc4)cc3)c(CC(NC(=O)OC(C)(C)C)C(=O)O)n2c1.

What is the InChIKey of 3-[6-methyl-2-(4-phenylphenyl)imidazo[1,2-a]pyridin-3-yl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid?

The InChIKey is QTJDYOLBMMJUNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H29N3O4/c1-18-10-15-24-30-25(21-13-11-20(12-14-21)19-8-6-5-7-9-19)23(31(24)17-18)16-22(26(32)33)29-27(34)35-28(2,3)4/h5-15,17,22H,16H2,1-4H3,(H,29,34)(H,32,33).

What are the key properties of 3-[6-methyl-2-(4-phenylphenyl)imidazo[1,2-a]pyridin-3-yl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid?

3-[6-methyl-2-(4-phenylphenyl)imidazo[1,2-a]pyridin-3-yl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid has a molecular weight of 471.56 g/mol, XLogP of 5.50, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[6-methyl-2-(4-phenylphenyl)imidazo[1,2-a]pyridin-3-yl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid is sourced from PubChem (CID 170881184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).