N-[3-[(3-bromo-2-methylimidazo[1,2-a]pyridin-8-yl)oxymethyl]-2,4-dichlorophenyl]-N-methyl-2-[(2-phenoxyacetyl)amino]acetamide

C26H23BrCl2N4O4 — CID 18923274

About N-[3-[(3-bromo-2-methylimidazo[1,2-a]pyridin-8-yl)oxymethyl]-2,4-dichlorophenyl]-N-methyl-2-[(2-phenoxyacetyl)amino]acetamide

N-[3-[(3-bromo-2-methylimidazo[1,2-a]pyridin-8-yl)oxymethyl]-2,4-dichlorophenyl]-N-methyl-2-[(2-phenoxyacetyl)amino]acetamide (PubChem CID 18923274) has the molecular formula C26H23BrCl2N4O4 and a molecular weight of 606.30 g/mol. Its IUPAC name is N-[3-[(3-bromo-2-methylimidazo[1,2-a]pyridin-8-yl)oxymethyl]-2,4-dichlorophenyl]-N-methyl-2-[(2-phenoxyacetyl)amino]acetamide.

Molecular Properties

• Compound Name: N-[3-[(3-bromo-2-methylimidazo[1,2-a]pyridin-8-yl)oxymethyl]-2,4-dichlorophenyl]-N-methyl-2-[(2-phenoxyacetyl)amino]acetamide
• PubChem CID: 18923274
• Molecular Formula: C26H23BrCl2N4O4
• Molecular Weight: 606.30 g/mol
• Exact Mass: 604.03
• IUPAC Name: N-[3-[(3-bromo-2-methylimidazo[1,2-a]pyridin-8-yl)oxymethyl]-2,4-dichlorophenyl]-N-methyl-2-[(2-phenoxyacetyl)amino]acetamide
• SMILES: Cc1nc2c(OCc3c(Cl)ccc(N(C)C(=O)CNC(=O)COc4ccccc4)c3Cl)cccn2c1Br
• InChI: InChI=1S/C26H23BrCl2N4O4/c1-16-25(27)33-12-6-9-21(26(33)31-16)37-14-18-19(28)10-11-20(24(18)29)32(2)23(35)13-30-22(34)15-36-17-7-4-3-5-8-17/h3-12H,13-15H2,1-2H3,(H,30,34)
• InChIKey: YPYSKXJQYNLKAJ-UHFFFAOYSA-N
• XLogP: 5.45
• TPSA: 85.17 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 9
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	606.30
LogP ≤ 5	5.45
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[3-[(3-bromo-2-methylimidazo[1,2-a]pyridin-8-yl)oxymethyl]-2,4-dichlorophenyl]-N-methyl-2-[(2-phenoxyacetyl)amino]acetamide?

The IUPAC name of N-[3-[(3-bromo-2-methylimidazo[1,2-a]pyridin-8-yl)oxymethyl]-2,4-dichlorophenyl]-N-methyl-2-[(2-phenoxyacetyl)amino]acetamide (CID 18923274) is N-[3-[(3-bromo-2-methylimidazo[1,2-a]pyridin-8-yl)oxymethyl]-2,4-dichlorophenyl]-N-methyl-2-[(2-phenoxyacetyl)amino]acetamide.

What is the SMILES notation for N-[3-[(3-bromo-2-methylimidazo[1,2-a]pyridin-8-yl)oxymethyl]-2,4-dichlorophenyl]-N-methyl-2-[(2-phenoxyacetyl)amino]acetamide?

The canonical SMILES for N-[3-[(3-bromo-2-methylimidazo[1,2-a]pyridin-8-yl)oxymethyl]-2,4-dichlorophenyl]-N-methyl-2-[(2-phenoxyacetyl)amino]acetamide is Cc1nc2c(OCc3c(Cl)ccc(N(C)C(=O)CNC(=O)COc4ccccc4)c3Cl)cccn2c1Br.

What is the InChIKey of N-[3-[(3-bromo-2-methylimidazo[1,2-a]pyridin-8-yl)oxymethyl]-2,4-dichlorophenyl]-N-methyl-2-[(2-phenoxyacetyl)amino]acetamide?

The InChIKey is YPYSKXJQYNLKAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23BrCl2N4O4/c1-16-25(27)33-12-6-9-21(26(33)31-16)37-14-18-19(28)10-11-20(24(18)29)32(2)23(35)13-30-22(34)15-36-17-7-4-3-5-8-17/h3-12H,13-15H2,1-2H3,(H,30,34).

What are the key properties of N-[3-[(3-bromo-2-methylimidazo[1,2-a]pyridin-8-yl)oxymethyl]-2,4-dichlorophenyl]-N-methyl-2-[(2-phenoxyacetyl)amino]acetamide?

N-[3-[(3-bromo-2-methylimidazo[1,2-a]pyridin-8-yl)oxymethyl]-2,4-dichlorophenyl]-N-methyl-2-[(2-phenoxyacetyl)amino]acetamide has a molecular weight of 606.30 g/mol, XLogP of 5.45, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-[(3-bromo-2-methylimidazo[1,2-a]pyridin-8-yl)oxymethyl]-2,4-dichlorophenyl]-N-methyl-2-[(2-phenoxyacetyl)amino]acetamide is sourced from PubChem (CID 18923274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).