2-[6-(6-chloro-3-methylimidazo[1,2-a]pyridin-2-yl)-4-(4-chlorophenyl)-2,5-dimethyl-3-pyridinyl]-2-[(2-methylpropan-2-yl)oxy]acetic acid

C27H27Cl2N3O3 — CID 75282847

About 2-[6-(6-chloro-3-methylimidazo[1,2-a]pyridin-2-yl)-4-(4-chlorophenyl)-2,5-dimethyl-3-pyridinyl]-2-[(2-methylpropan-2-yl)oxy]acetic acid

2-[6-(6-chloro-3-methylimidazo[1,2-a]pyridin-2-yl)-4-(4-chlorophenyl)-2,5-dimethyl-3-pyridinyl]-2-[(2-methylpropan-2-yl)oxy]acetic acid (PubChem CID 75282847) has the molecular formula C27H27Cl2N3O3 and a molecular weight of 512.44 g/mol. Its IUPAC name is 2-[6-(6-chloro-3-methylimidazo[1,2-a]pyridin-2-yl)-4-(4-chlorophenyl)-2,5-dimethyl-3-pyridinyl]-2-[(2-methylpropan-2-yl)oxy]acetic acid.

Molecular Properties

• Compound Name: 2-[6-(6-chloro-3-methylimidazo[1,2-a]pyridin-2-yl)-4-(4-chlorophenyl)-2,5-dimethyl-3-pyridinyl]-2-[(2-methylpropan-2-yl)oxy]acetic acid
• PubChem CID: 75282847
• Molecular Formula: C27H27Cl2N3O3
• Molecular Weight: 512.44 g/mol
• Exact Mass: 511.14
• IUPAC Name: 2-[6-(6-chloro-3-methylimidazo[1,2-a]pyridin-2-yl)-4-(4-chlorophenyl)-2,5-dimethyl-3-pyridinyl]-2-[(2-methylpropan-2-yl)oxy]acetic acid
• SMILES: Cc1nc(-c2nc3ccc(Cl)cn3c2C)c(C)c(-c2ccc(Cl)cc2)c1C(OC(C)(C)C)C(=O)O
• InChI: InChI=1S/C27H27Cl2N3O3/c1-14-21(17-7-9-18(28)10-8-17)22(25(26(33)34)35-27(4,5)6)15(2)30-23(14)24-16(3)32-13-19(29)11-12-20(32)31-24/h7-13,25H,1-6H3,(H,33,34)
• InChIKey: PAKSHDRQYWHXRH-UHFFFAOYSA-N
• XLogP: 7.24
• TPSA: 76.72 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	512.44
LogP ≤ 5	7.24
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 2-[6-(6-chloro-3-methylimidazo[1,2-a]pyridin-2-yl)-4-(4-chlorophenyl)-2,5-dimethyl-3-pyridinyl]-2-[(2-methylpropan-2-yl)oxy]acetic acid?

The IUPAC name of 2-[6-(6-chloro-3-methylimidazo[1,2-a]pyridin-2-yl)-4-(4-chlorophenyl)-2,5-dimethyl-3-pyridinyl]-2-[(2-methylpropan-2-yl)oxy]acetic acid (CID 75282847) is 2-[6-(6-chloro-3-methylimidazo[1,2-a]pyridin-2-yl)-4-(4-chlorophenyl)-2,5-dimethyl-3-pyridinyl]-2-[(2-methylpropan-2-yl)oxy]acetic acid.

What is the SMILES notation for 2-[6-(6-chloro-3-methylimidazo[1,2-a]pyridin-2-yl)-4-(4-chlorophenyl)-2,5-dimethyl-3-pyridinyl]-2-[(2-methylpropan-2-yl)oxy]acetic acid?

The canonical SMILES for 2-[6-(6-chloro-3-methylimidazo[1,2-a]pyridin-2-yl)-4-(4-chlorophenyl)-2,5-dimethyl-3-pyridinyl]-2-[(2-methylpropan-2-yl)oxy]acetic acid is Cc1nc(-c2nc3ccc(Cl)cn3c2C)c(C)c(-c2ccc(Cl)cc2)c1C(OC(C)(C)C)C(=O)O.

What is the InChIKey of 2-[6-(6-chloro-3-methylimidazo[1,2-a]pyridin-2-yl)-4-(4-chlorophenyl)-2,5-dimethyl-3-pyridinyl]-2-[(2-methylpropan-2-yl)oxy]acetic acid?

The InChIKey is PAKSHDRQYWHXRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27Cl2N3O3/c1-14-21(17-7-9-18(28)10-8-17)22(25(26(33)34)35-27(4,5)6)15(2)30-23(14)24-16(3)32-13-19(29)11-12-20(32)31-24/h7-13,25H,1-6H3,(H,33,34).

What are the key properties of 2-[6-(6-chloro-3-methylimidazo[1,2-a]pyridin-2-yl)-4-(4-chlorophenyl)-2,5-dimethyl-3-pyridinyl]-2-[(2-methylpropan-2-yl)oxy]acetic acid?

2-[6-(6-chloro-3-methylimidazo[1,2-a]pyridin-2-yl)-4-(4-chlorophenyl)-2,5-dimethyl-3-pyridinyl]-2-[(2-methylpropan-2-yl)oxy]acetic acid has a molecular weight of 512.44 g/mol, XLogP of 7.24, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[6-(6-chloro-3-methylimidazo[1,2-a]pyridin-2-yl)-4-(4-chlorophenyl)-2,5-dimethyl-3-pyridinyl]-2-[(2-methylpropan-2-yl)oxy]acetic acid is sourced from PubChem (CID 75282847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).