methyl (2R)-1-[2-(8-ethoxy-2-methylimidazo[1,2-a]pyridin-3-yl)-2-oxoethyl]-7-fluoro-2,3-dihydro-1H-indene-2-carboxylate

C23H23FN2O4 — CID 148812743

About methyl (2R)-1-[2-(8-ethoxy-2-methylimidazo[1,2-a]pyridin-3-yl)-2-oxoethyl]-7-fluoro-2,3-dihydro-1H-indene-2-carboxylate

methyl (2R)-1-[2-(8-ethoxy-2-methylimidazo[1,2-a]pyridin-3-yl)-2-oxoethyl]-7-fluoro-2,3-dihydro-1H-indene-2-carboxylate (PubChem CID 148812743) has the molecular formula C23H23FN2O4 and a molecular weight of 410.45 g/mol. Its IUPAC name is methyl (2R)-1-[2-(8-ethoxy-2-methylimidazo[1,2-a]pyridin-3-yl)-2-oxoethyl]-7-fluoro-2,3-dihydro-1H-indene-2-carboxylate.

Molecular Properties

• Compound Name: methyl (2R)-1-[2-(8-ethoxy-2-methylimidazo[1,2-a]pyridin-3-yl)-2-oxoethyl]-7-fluoro-2,3-dihydro-1H-indene-2-carboxylate
• PubChem CID: 148812743
• Molecular Formula: C23H23FN2O4
• Molecular Weight: 410.45 g/mol
• Exact Mass: 410.16
• IUPAC Name: methyl (2R)-1-[2-(8-ethoxy-2-methylimidazo[1,2-a]pyridin-3-yl)-2-oxoethyl]-7-fluoro-2,3-dihydro-1H-indene-2-carboxylate
• SMILES: CCOc1cccn2c(C(=O)CC3c4c(F)cccc4C[C@H]3C(=O)OC)c(C)nc12
• InChI: InChI=1S/C23H23FN2O4/c1-4-30-19-9-6-10-26-21(13(2)25-22(19)26)18(27)12-15-16(23(28)29-3)11-14-7-5-8-17(24)20(14)15/h5-10,15-16H,4,11-12H2,1-3H3/t15?,16-/m1/s1
• InChIKey: OQFSNLZQQGHKER-OEMAIJDKSA-N
• XLogP: 3.88
• TPSA: 69.90 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	410.45
LogP ≤ 5	3.88
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of methyl (2R)-1-[2-(8-ethoxy-2-methylimidazo[1,2-a]pyridin-3-yl)-2-oxoethyl]-7-fluoro-2,3-dihydro-1H-indene-2-carboxylate?

The IUPAC name of methyl (2R)-1-[2-(8-ethoxy-2-methylimidazo[1,2-a]pyridin-3-yl)-2-oxoethyl]-7-fluoro-2,3-dihydro-1H-indene-2-carboxylate (CID 148812743) is methyl (2R)-1-[2-(8-ethoxy-2-methylimidazo[1,2-a]pyridin-3-yl)-2-oxoethyl]-7-fluoro-2,3-dihydro-1H-indene-2-carboxylate.

What is the SMILES notation for methyl (2R)-1-[2-(8-ethoxy-2-methylimidazo[1,2-a]pyridin-3-yl)-2-oxoethyl]-7-fluoro-2,3-dihydro-1H-indene-2-carboxylate?

The canonical SMILES for methyl (2R)-1-[2-(8-ethoxy-2-methylimidazo[1,2-a]pyridin-3-yl)-2-oxoethyl]-7-fluoro-2,3-dihydro-1H-indene-2-carboxylate is CCOc1cccn2c(C(=O)CC3c4c(F)cccc4C[C@H]3C(=O)OC)c(C)nc12.

What is the InChIKey of methyl (2R)-1-[2-(8-ethoxy-2-methylimidazo[1,2-a]pyridin-3-yl)-2-oxoethyl]-7-fluoro-2,3-dihydro-1H-indene-2-carboxylate?

The InChIKey is OQFSNLZQQGHKER-OEMAIJDKSA-N. The full InChI is InChI=1S/C23H23FN2O4/c1-4-30-19-9-6-10-26-21(13(2)25-22(19)26)18(27)12-15-16(23(28)29-3)11-14-7-5-8-17(24)20(14)15/h5-10,15-16H,4,11-12H2,1-3H3/t15?,16-/m1/s1.

What are the key properties of methyl (2R)-1-[2-(8-ethoxy-2-methylimidazo[1,2-a]pyridin-3-yl)-2-oxoethyl]-7-fluoro-2,3-dihydro-1H-indene-2-carboxylate?

methyl (2R)-1-[2-(8-ethoxy-2-methylimidazo[1,2-a]pyridin-3-yl)-2-oxoethyl]-7-fluoro-2,3-dihydro-1H-indene-2-carboxylate has a molecular weight of 410.45 g/mol, XLogP of 3.88, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for methyl (2R)-1-[2-(8-ethoxy-2-methylimidazo[1,2-a]pyridin-3-yl)-2-oxoethyl]-7-fluoro-2,3-dihydro-1H-indene-2-carboxylate is sourced from PubChem (CID 148812743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).