[2-[(2,2-difluoro-1,3-benzodioxol-5-yl)amino]-2-oxoethyl] 7-methylimidazo[1,2-a]pyridine-2-carboxylate

C18H13F2N3O5 — CID 40520208

About [2-[(2,2-difluoro-1,3-benzodioxol-5-yl)amino]-2-oxoethyl] 7-methylimidazo[1,2-a]pyridine-2-carboxylate

[2-[(2,2-difluoro-1,3-benzodioxol-5-yl)amino]-2-oxoethyl] 7-methylimidazo[1,2-a]pyridine-2-carboxylate (PubChem CID 40520208) has the molecular formula C18H13F2N3O5 and a molecular weight of 389.31 g/mol. Its IUPAC name is [2-[(2,2-difluoro-1,3-benzodioxol-5-yl)amino]-2-oxoethyl] 7-methylimidazo[1,2-a]pyridine-2-carboxylate.

Molecular Properties

• Compound Name: [2-[(2,2-difluoro-1,3-benzodioxol-5-yl)amino]-2-oxoethyl] 7-methylimidazo[1,2-a]pyridine-2-carboxylate
• PubChem CID: 40520208
• Molecular Formula: C18H13F2N3O5
• Molecular Weight: 389.31 g/mol
• Exact Mass: 389.08
• IUPAC Name: [2-[(2,2-difluoro-1,3-benzodioxol-5-yl)amino]-2-oxoethyl] 7-methylimidazo[1,2-a]pyridine-2-carboxylate
• SMILES: Cc1ccn2cc(C(=O)OCC(=O)Nc3ccc4c(c3)OC(F)(F)O4)nc2c1
• InChI: InChI=1S/C18H13F2N3O5/c1-10-4-5-23-8-12(22-15(23)6-10)17(25)26-9-16(24)21-11-2-3-13-14(7-11)28-18(19,20)27-13/h2-8H,9H2,1H3,(H,21,24)
• InChIKey: CZXGLFFOLIYTDL-UHFFFAOYSA-N
• XLogP: 2.76
• TPSA: 91.16 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	389.31
LogP ≤ 5	2.76
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of [2-[(2,2-difluoro-1,3-benzodioxol-5-yl)amino]-2-oxoethyl] 7-methylimidazo[1,2-a]pyridine-2-carboxylate?

The IUPAC name of [2-[(2,2-difluoro-1,3-benzodioxol-5-yl)amino]-2-oxoethyl] 7-methylimidazo[1,2-a]pyridine-2-carboxylate (CID 40520208) is [2-[(2,2-difluoro-1,3-benzodioxol-5-yl)amino]-2-oxoethyl] 7-methylimidazo[1,2-a]pyridine-2-carboxylate.

What is the SMILES notation for [2-[(2,2-difluoro-1,3-benzodioxol-5-yl)amino]-2-oxoethyl] 7-methylimidazo[1,2-a]pyridine-2-carboxylate?

The canonical SMILES for [2-[(2,2-difluoro-1,3-benzodioxol-5-yl)amino]-2-oxoethyl] 7-methylimidazo[1,2-a]pyridine-2-carboxylate is Cc1ccn2cc(C(=O)OCC(=O)Nc3ccc4c(c3)OC(F)(F)O4)nc2c1.

What is the InChIKey of [2-[(2,2-difluoro-1,3-benzodioxol-5-yl)amino]-2-oxoethyl] 7-methylimidazo[1,2-a]pyridine-2-carboxylate?

The InChIKey is CZXGLFFOLIYTDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13F2N3O5/c1-10-4-5-23-8-12(22-15(23)6-10)17(25)26-9-16(24)21-11-2-3-13-14(7-11)28-18(19,20)27-13/h2-8H,9H2,1H3,(H,21,24).

What are the key properties of [2-[(2,2-difluoro-1,3-benzodioxol-5-yl)amino]-2-oxoethyl] 7-methylimidazo[1,2-a]pyridine-2-carboxylate?

[2-[(2,2-difluoro-1,3-benzodioxol-5-yl)amino]-2-oxoethyl] 7-methylimidazo[1,2-a]pyridine-2-carboxylate has a molecular weight of 389.31 g/mol, XLogP of 2.76, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for [2-[(2,2-difluoro-1,3-benzodioxol-5-yl)amino]-2-oxoethyl] 7-methylimidazo[1,2-a]pyridine-2-carboxylate is sourced from PubChem (CID 40520208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).