(2S)-2-[2-[3-(2,4-difluorophenyl)phenyl]-5-(4,4-dimethylpiperidin-1-yl)-7-methylimidazo[1,2-a]pyridin-6-yl]-2-[(2-methylpropan-2-yl)oxy]acetic acid

C33H37F2N3O3 — CID 118909493

About (2S)-2-[2-[3-(2,4-difluorophenyl)phenyl]-5-(4,4-dimethylpiperidin-1-yl)-7-methylimidazo[1,2-a]pyridin-6-yl]-2-[(2-methylpropan-2-yl)oxy]acetic acid

(2S)-2-[2-[3-(2,4-difluorophenyl)phenyl]-5-(4,4-dimethylpiperidin-1-yl)-7-methylimidazo[1,2-a]pyridin-6-yl]-2-[(2-methylpropan-2-yl)oxy]acetic acid (PubChem CID 118909493) has the molecular formula C33H37F2N3O3 and a molecular weight of 561.67 g/mol. Its IUPAC name is (2S)-2-[2-[3-(2,4-difluorophenyl)phenyl]-5-(4,4-dimethylpiperidin-1-yl)-7-methylimidazo[1,2-a]pyridin-6-yl]-2-[(2-methylpropan-2-yl)oxy]acetic acid.

Molecular Properties

• Compound Name: (2S)-2-[2-[3-(2,4-difluorophenyl)phenyl]-5-(4,4-dimethylpiperidin-1-yl)-7-methylimidazo[1,2-a]pyridin-6-yl]-2-[(2-methylpropan-2-yl)oxy]acetic acid
• PubChem CID: 118909493
• Molecular Formula: C33H37F2N3O3
• Molecular Weight: 561.67 g/mol
• Exact Mass: 561.28
• IUPAC Name: (2S)-2-[2-[3-(2,4-difluorophenyl)phenyl]-5-(4,4-dimethylpiperidin-1-yl)-7-methylimidazo[1,2-a]pyridin-6-yl]-2-[(2-methylpropan-2-yl)oxy]acetic acid
• SMILES: Cc1cc2nc(-c3cccc(-c4ccc(F)cc4F)c3)cn2c(N2CCC(C)(C)CC2)c1[C@H](OC(C)(C)C)C(=O)O
• InChI: InChI=1S/C33H37F2N3O3/c1-20-16-27-36-26(22-9-7-8-21(17-22)24-11-10-23(34)18-25(24)35)19-38(27)30(37-14-12-33(5,6)13-15-37)28(20)29(31(39)40)41-32(2,3)4/h7-11,16-19,29H,12-15H2,1-6H3,(H,39,40)/t29-/m0/s1
• InChIKey: AZKKIFVXMBMWKE-LJAQVGFWSA-N
• XLogP: 7.82
• TPSA: 67.07 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	561.67
LogP ≤ 5	7.82
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of (2S)-2-[2-[3-(2,4-difluorophenyl)phenyl]-5-(4,4-dimethylpiperidin-1-yl)-7-methylimidazo[1,2-a]pyridin-6-yl]-2-[(2-methylpropan-2-yl)oxy]acetic acid (CID 118909493) is (2S)-2-[2-[3-(2,4-difluorophenyl)phenyl]-5-(4,4-dimethylpiperidin-1-yl)-7-methylimidazo[1,2-a]pyridin-6-yl]-2-[(2-methylpropan-2-yl)oxy]acetic acid.

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

The canonical SMILES for (2S)-2-[2-[3-(2,4-difluorophenyl)phenyl]-5-(4,4-dimethylpiperidin-1-yl)-7-methylimidazo[1,2-a]pyridin-6-yl]-2-[(2-methylpropan-2-yl)oxy]acetic acid is Cc1cc2nc(-c3cccc(-c4ccc(F)cc4F)c3)cn2c(N2CCC(C)(C)CC2)c1[C@H](OC(C)(C)C)C(=O)O.

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

The InChIKey is AZKKIFVXMBMWKE-LJAQVGFWSA-N. The full InChI is InChI=1S/C33H37F2N3O3/c1-20-16-27-36-26(22-9-7-8-21(17-22)24-11-10-23(34)18-25(24)35)19-38(27)30(37-14-12-33(5,6)13-15-37)28(20)29(31(39)40)41-32(2,3)4/h7-11,16-19,29H,12-15H2,1-6H3,(H,39,40)/t29-/m0/s1.

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

(2S)-2-[2-[3-(2,4-difluorophenyl)phenyl]-5-(4,4-dimethylpiperidin-1-yl)-7-methylimidazo[1,2-a]pyridin-6-yl]-2-[(2-methylpropan-2-yl)oxy]acetic acid has a molecular weight of 561.67 g/mol, XLogP of 7.82, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (2S)-2-[2-[3-(2,4-difluorophenyl)phenyl]-5-(4,4-dimethylpiperidin-1-yl)-7-methylimidazo[1,2-a]pyridin-6-yl]-2-[(2-methylpropan-2-yl)oxy]acetic acid is sourced from PubChem (CID 118909493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).