(2S)-2-[5-(4,4-dimethylpiperidin-1-yl)-7-methyl-2-(3-phenylphenyl)imidazo[1,2-a]pyridin-6-yl]-2-[(2-methylpropan-2-yl)oxy]acetic acid

C33H39N3O3 — CID 118903053

About (2S)-2-[5-(4,4-dimethylpiperidin-1-yl)-7-methyl-2-(3-phenylphenyl)imidazo[1,2-a]pyridin-6-yl]-2-[(2-methylpropan-2-yl)oxy]acetic acid

(2S)-2-[5-(4,4-dimethylpiperidin-1-yl)-7-methyl-2-(3-phenylphenyl)imidazo[1,2-a]pyridin-6-yl]-2-[(2-methylpropan-2-yl)oxy]acetic acid (PubChem CID 118903053) has the molecular formula C33H39N3O3 and a molecular weight of 525.69 g/mol. Its IUPAC name is (2S)-2-[5-(4,4-dimethylpiperidin-1-yl)-7-methyl-2-(3-phenylphenyl)imidazo[1,2-a]pyridin-6-yl]-2-[(2-methylpropan-2-yl)oxy]acetic acid.

Molecular Properties

• Compound Name: (2S)-2-[5-(4,4-dimethylpiperidin-1-yl)-7-methyl-2-(3-phenylphenyl)imidazo[1,2-a]pyridin-6-yl]-2-[(2-methylpropan-2-yl)oxy]acetic acid
• PubChem CID: 118903053
• Molecular Formula: C33H39N3O3
• Molecular Weight: 525.69 g/mol
• Exact Mass: 525.30
• IUPAC Name: (2S)-2-[5-(4,4-dimethylpiperidin-1-yl)-7-methyl-2-(3-phenylphenyl)imidazo[1,2-a]pyridin-6-yl]-2-[(2-methylpropan-2-yl)oxy]acetic acid
• SMILES: Cc1cc2nc(-c3cccc(-c4ccccc4)c3)cn2c(N2CCC(C)(C)CC2)c1[C@H](OC(C)(C)C)C(=O)O
• InChI: InChI=1S/C33H39N3O3/c1-22-19-27-34-26(25-14-10-13-24(20-25)23-11-8-7-9-12-23)21-36(27)30(35-17-15-33(5,6)16-18-35)28(22)29(31(37)38)39-32(2,3)4/h7-14,19-21,29H,15-18H2,1-6H3,(H,37,38)/t29-/m0/s1
• InChIKey: OODBYFIGKKMMRQ-LJAQVGFWSA-N
• XLogP: 7.54
• TPSA: 67.07 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	525.69
LogP ≤ 5	7.54
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[5-(4,4-dimethylpiperidin-1-yl)-7-methyl-2-(3-phenylphenyl)imidazo[1,2-a]pyridin-6-yl]-2-[(2-methylpropan-2-yl)oxy]acetic acid?

The IUPAC name of (2S)-2-[5-(4,4-dimethylpiperidin-1-yl)-7-methyl-2-(3-phenylphenyl)imidazo[1,2-a]pyridin-6-yl]-2-[(2-methylpropan-2-yl)oxy]acetic acid (CID 118903053) is (2S)-2-[5-(4,4-dimethylpiperidin-1-yl)-7-methyl-2-(3-phenylphenyl)imidazo[1,2-a]pyridin-6-yl]-2-[(2-methylpropan-2-yl)oxy]acetic acid.

What is the SMILES notation for (2S)-2-[5-(4,4-dimethylpiperidin-1-yl)-7-methyl-2-(3-phenylphenyl)imidazo[1,2-a]pyridin-6-yl]-2-[(2-methylpropan-2-yl)oxy]acetic acid?

The canonical SMILES for (2S)-2-[5-(4,4-dimethylpiperidin-1-yl)-7-methyl-2-(3-phenylphenyl)imidazo[1,2-a]pyridin-6-yl]-2-[(2-methylpropan-2-yl)oxy]acetic acid is Cc1cc2nc(-c3cccc(-c4ccccc4)c3)cn2c(N2CCC(C)(C)CC2)c1[C@H](OC(C)(C)C)C(=O)O.

What is the InChIKey of (2S)-2-[5-(4,4-dimethylpiperidin-1-yl)-7-methyl-2-(3-phenylphenyl)imidazo[1,2-a]pyridin-6-yl]-2-[(2-methylpropan-2-yl)oxy]acetic acid?

The InChIKey is OODBYFIGKKMMRQ-LJAQVGFWSA-N. The full InChI is InChI=1S/C33H39N3O3/c1-22-19-27-34-26(25-14-10-13-24(20-25)23-11-8-7-9-12-23)21-36(27)30(35-17-15-33(5,6)16-18-35)28(22)29(31(37)38)39-32(2,3)4/h7-14,19-21,29H,15-18H2,1-6H3,(H,37,38)/t29-/m0/s1.

What are the key properties of (2S)-2-[5-(4,4-dimethylpiperidin-1-yl)-7-methyl-2-(3-phenylphenyl)imidazo[1,2-a]pyridin-6-yl]-2-[(2-methylpropan-2-yl)oxy]acetic acid?

(2S)-2-[5-(4,4-dimethylpiperidin-1-yl)-7-methyl-2-(3-phenylphenyl)imidazo[1,2-a]pyridin-6-yl]-2-[(2-methylpropan-2-yl)oxy]acetic acid has a molecular weight of 525.69 g/mol, XLogP of 7.54, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (2S)-2-[5-(4,4-dimethylpiperidin-1-yl)-7-methyl-2-(3-phenylphenyl)imidazo[1,2-a]pyridin-6-yl]-2-[(2-methylpropan-2-yl)oxy]acetic acid is sourced from PubChem (CID 118903053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).