2-(3-chlorophenyl)-2-[4-[(7-methyl-2-propylimidazo[4,5-b]pyridin-3-yl)methyl]phenoxy]acetic acid

C25H24ClN3O3 — CID 15287885

About 2-(3-chlorophenyl)-2-[4-[(7-methyl-2-propylimidazo[4,5-b]pyridin-3-yl)methyl]phenoxy]acetic acid

2-(3-chlorophenyl)-2-[4-[(7-methyl-2-propylimidazo[4,5-b]pyridin-3-yl)methyl]phenoxy]acetic acid (PubChem CID 15287885) has the molecular formula C25H24ClN3O3 and a molecular weight of 449.94 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-2-[4-[(7-methyl-2-propylimidazo[4,5-b]pyridin-3-yl)methyl]phenoxy]acetic acid.

Molecular Properties

• Compound Name: 2-(3-chlorophenyl)-2-[4-[(7-methyl-2-propylimidazo[4,5-b]pyridin-3-yl)methyl]phenoxy]acetic acid
• PubChem CID: 15287885
• Molecular Formula: C25H24ClN3O3
• Molecular Weight: 449.94 g/mol
• Exact Mass: 449.15
• IUPAC Name: 2-(3-chlorophenyl)-2-[4-[(7-methyl-2-propylimidazo[4,5-b]pyridin-3-yl)methyl]phenoxy]acetic acid
• SMILES: CCCc1nc2c(C)ccnc2n1Cc1ccc(OC(C(=O)O)c2cccc(Cl)c2)cc1
• InChI: InChI=1S/C25H24ClN3O3/c1-3-5-21-28-22-16(2)12-13-27-24(22)29(21)15-17-8-10-20(11-9-17)32-23(25(30)31)18-6-4-7-19(26)14-18/h4,6-14,23H,3,5,15H2,1-2H3,(H,30,31)
• InChIKey: OICIRVSVHZRBNP-UHFFFAOYSA-N
• XLogP: 5.60
• TPSA: 77.24 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	449.94
LogP ≤ 5	5.60
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)-2-[4-[(7-methyl-2-propylimidazo[4,5-b]pyridin-3-yl)methyl]phenoxy]acetic acid?

The IUPAC name of 2-(3-chlorophenyl)-2-[4-[(7-methyl-2-propylimidazo[4,5-b]pyridin-3-yl)methyl]phenoxy]acetic acid (CID 15287885) is 2-(3-chlorophenyl)-2-[4-[(7-methyl-2-propylimidazo[4,5-b]pyridin-3-yl)methyl]phenoxy]acetic acid.

What is the SMILES notation for 2-(3-chlorophenyl)-2-[4-[(7-methyl-2-propylimidazo[4,5-b]pyridin-3-yl)methyl]phenoxy]acetic acid?

The canonical SMILES for 2-(3-chlorophenyl)-2-[4-[(7-methyl-2-propylimidazo[4,5-b]pyridin-3-yl)methyl]phenoxy]acetic acid is CCCc1nc2c(C)ccnc2n1Cc1ccc(OC(C(=O)O)c2cccc(Cl)c2)cc1.

What is the InChIKey of 2-(3-chlorophenyl)-2-[4-[(7-methyl-2-propylimidazo[4,5-b]pyridin-3-yl)methyl]phenoxy]acetic acid?

The InChIKey is OICIRVSVHZRBNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24ClN3O3/c1-3-5-21-28-22-16(2)12-13-27-24(22)29(21)15-17-8-10-20(11-9-17)32-23(25(30)31)18-6-4-7-19(26)14-18/h4,6-14,23H,3,5,15H2,1-2H3,(H,30,31).

What are the key properties of 2-(3-chlorophenyl)-2-[4-[(7-methyl-2-propylimidazo[4,5-b]pyridin-3-yl)methyl]phenoxy]acetic acid?

2-(3-chlorophenyl)-2-[4-[(7-methyl-2-propylimidazo[4,5-b]pyridin-3-yl)methyl]phenoxy]acetic acid has a molecular weight of 449.94 g/mol, XLogP of 5.60, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(3-chlorophenyl)-2-[4-[(7-methyl-2-propylimidazo[4,5-b]pyridin-3-yl)methyl]phenoxy]acetic acid is sourced from PubChem (CID 15287885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).