methyl 2-[[3-[[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)benzoyl]amino]benzoyl]amino]acetate

C25H22N4O5 — CID 55848603

About methyl 2-[[3-[[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)benzoyl]amino]benzoyl]amino]acetate

methyl 2-[[3-[[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)benzoyl]amino]benzoyl]amino]acetate (PubChem CID 55848603) has the molecular formula C25H22N4O5 and a molecular weight of 458.47 g/mol. Its IUPAC name is methyl 2-[[3-[[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)benzoyl]amino]benzoyl]amino]acetate.

Molecular Properties

• Compound Name: methyl 2-[[3-[[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)benzoyl]amino]benzoyl]amino]acetate
• PubChem CID: 55848603
• Molecular Formula: C25H22N4O5
• Molecular Weight: 458.47 g/mol
• Exact Mass: 458.16
• IUPAC Name: methyl 2-[[3-[[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)benzoyl]amino]benzoyl]amino]acetate
• SMILES: COC(=O)CNC(=O)c1cccc(NC(=O)c2cccc(OCc3cn4ccccc4n3)c2)c1
• InChI: InChI=1S/C25H22N4O5/c1-33-23(30)14-26-24(31)17-6-4-8-19(12-17)28-25(32)18-7-5-9-21(13-18)34-16-20-15-29-11-3-2-10-22(29)27-20/h2-13,15H,14,16H2,1H3,(H,26,31)(H,28,32)
• InChIKey: MRRNHXHOQAHEOZ-UHFFFAOYSA-N
• XLogP: 3.07
• TPSA: 111.03 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	458.47
LogP ≤ 5	3.07
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[3-[[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)benzoyl]amino]benzoyl]amino]acetate?

The IUPAC name of methyl 2-[[3-[[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)benzoyl]amino]benzoyl]amino]acetate (CID 55848603) is methyl 2-[[3-[[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)benzoyl]amino]benzoyl]amino]acetate.

What is the SMILES notation for methyl 2-[[3-[[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)benzoyl]amino]benzoyl]amino]acetate?

The canonical SMILES for methyl 2-[[3-[[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)benzoyl]amino]benzoyl]amino]acetate is COC(=O)CNC(=O)c1cccc(NC(=O)c2cccc(OCc3cn4ccccc4n3)c2)c1.

What is the InChIKey of methyl 2-[[3-[[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)benzoyl]amino]benzoyl]amino]acetate?

The InChIKey is MRRNHXHOQAHEOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22N4O5/c1-33-23(30)14-26-24(31)17-6-4-8-19(12-17)28-25(32)18-7-5-9-21(13-18)34-16-20-15-29-11-3-2-10-22(29)27-20/h2-13,15H,14,16H2,1H3,(H,26,31)(H,28,32).

What are the key properties of methyl 2-[[3-[[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)benzoyl]amino]benzoyl]amino]acetate?

methyl 2-[[3-[[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)benzoyl]amino]benzoyl]amino]acetate has a molecular weight of 458.47 g/mol, XLogP of 3.07, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for methyl 2-[[3-[[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)benzoyl]amino]benzoyl]amino]acetate is sourced from PubChem (CID 55848603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).