(8-methylimidazo[1,2-a]pyridin-2-yl)methyl 3-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]benzoate

C25H23N3O4S — CID 16569298

About (8-methylimidazo[1,2-a]pyridin-2-yl)methyl 3-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]benzoate

(8-methylimidazo[1,2-a]pyridin-2-yl)methyl 3-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]benzoate (PubChem CID 16569298) has the molecular formula C25H23N3O4S and a molecular weight of 461.54 g/mol. Its IUPAC name is (8-methylimidazo[1,2-a]pyridin-2-yl)methyl 3-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]benzoate.

Molecular Properties

• Compound Name: (8-methylimidazo[1,2-a]pyridin-2-yl)methyl 3-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]benzoate
• PubChem CID: 16569298
• Molecular Formula: C25H23N3O4S
• Molecular Weight: 461.54 g/mol
• Exact Mass: 461.14
• IUPAC Name: (8-methylimidazo[1,2-a]pyridin-2-yl)methyl 3-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]benzoate
• SMILES: Cc1cccn2cc(COC(=O)c3cccc(S(=O)(=O)N4c5ccccc5CC4C)c3)nc12
• InChI: InChI=1S/C25H23N3O4S/c1-17-7-6-12-27-15-21(26-24(17)27)16-32-25(29)20-9-5-10-22(14-20)33(30,31)28-18(2)13-19-8-3-4-11-23(19)28/h3-12,14-15,18H,13,16H2,1-2H3
• InChIKey: DNVGFBUDEBOION-UHFFFAOYSA-N
• XLogP: 4.14
• TPSA: 80.98 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	461.54
LogP ≤ 5	4.14
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of (8-methylimidazo[1,2-a]pyridin-2-yl)methyl 3-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]benzoate?

The IUPAC name of (8-methylimidazo[1,2-a]pyridin-2-yl)methyl 3-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]benzoate (CID 16569298) is (8-methylimidazo[1,2-a]pyridin-2-yl)methyl 3-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]benzoate.

What is the SMILES notation for (8-methylimidazo[1,2-a]pyridin-2-yl)methyl 3-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]benzoate?

The canonical SMILES for (8-methylimidazo[1,2-a]pyridin-2-yl)methyl 3-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]benzoate is Cc1cccn2cc(COC(=O)c3cccc(S(=O)(=O)N4c5ccccc5CC4C)c3)nc12.

What is the InChIKey of (8-methylimidazo[1,2-a]pyridin-2-yl)methyl 3-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]benzoate?

The InChIKey is DNVGFBUDEBOION-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N3O4S/c1-17-7-6-12-27-15-21(26-24(17)27)16-32-25(29)20-9-5-10-22(14-20)33(30,31)28-18(2)13-19-8-3-4-11-23(19)28/h3-12,14-15,18H,13,16H2,1-2H3.

What are the key properties of (8-methylimidazo[1,2-a]pyridin-2-yl)methyl 3-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]benzoate?

(8-methylimidazo[1,2-a]pyridin-2-yl)methyl 3-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]benzoate has a molecular weight of 461.54 g/mol, XLogP of 4.14, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (8-methylimidazo[1,2-a]pyridin-2-yl)methyl 3-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]benzoate is sourced from PubChem (CID 16569298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).