(1S,2R)-1-[2-(8-ethoxy-2-methylimidazo[1,2-a]pyridin-3-yl)-2-oxoethyl]-4-methyl-2,3-dihydro-1H-indene-2-carboxylic acid

C23H24N2O4 — CID 159322024

About (1S,2R)-1-[2-(8-ethoxy-2-methylimidazo[1,2-a]pyridin-3-yl)-2-oxoethyl]-4-methyl-2,3-dihydro-1H-indene-2-carboxylic acid

(1S,2R)-1-[2-(8-ethoxy-2-methylimidazo[1,2-a]pyridin-3-yl)-2-oxoethyl]-4-methyl-2,3-dihydro-1H-indene-2-carboxylic acid (PubChem CID 159322024) has the molecular formula C23H24N2O4 and a molecular weight of 392.46 g/mol. Its IUPAC name is (1S,2R)-1-[2-(8-ethoxy-2-methylimidazo[1,2-a]pyridin-3-yl)-2-oxoethyl]-4-methyl-2,3-dihydro-1H-indene-2-carboxylic acid.

Molecular Properties

• Compound Name: (1S,2R)-1-[2-(8-ethoxy-2-methylimidazo[1,2-a]pyridin-3-yl)-2-oxoethyl]-4-methyl-2,3-dihydro-1H-indene-2-carboxylic acid
• PubChem CID: 159322024
• Molecular Formula: C23H24N2O4
• Molecular Weight: 392.46 g/mol
• Exact Mass: 392.17
• IUPAC Name: (1S,2R)-1-[2-(8-ethoxy-2-methylimidazo[1,2-a]pyridin-3-yl)-2-oxoethyl]-4-methyl-2,3-dihydro-1H-indene-2-carboxylic acid
• SMILES: CCOc1cccn2c(C(=O)C[C@@H]3c4cccc(C)c4C[C@H]3C(=O)O)c(C)nc12
• InChI: InChI=1S/C23H24N2O4/c1-4-29-20-9-6-10-25-21(14(3)24-22(20)25)19(26)12-17-15-8-5-7-13(2)16(15)11-18(17)23(27)28/h5-10,17-18H,4,11-12H2,1-3H3,(H,27,28)/t17-,18-/m1/s1
• InChIKey: LDWRPMTYBWYSGM-QZTJIDSGSA-N
• XLogP: 3.96
• TPSA: 80.90 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	392.46
LogP ≤ 5	3.96
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of (1S,2R)-1-[2-(8-ethoxy-2-methylimidazo[1,2-a]pyridin-3-yl)-2-oxoethyl]-4-methyl-2,3-dihydro-1H-indene-2-carboxylic acid?

The IUPAC name of (1S,2R)-1-[2-(8-ethoxy-2-methylimidazo[1,2-a]pyridin-3-yl)-2-oxoethyl]-4-methyl-2,3-dihydro-1H-indene-2-carboxylic acid (CID 159322024) is (1S,2R)-1-[2-(8-ethoxy-2-methylimidazo[1,2-a]pyridin-3-yl)-2-oxoethyl]-4-methyl-2,3-dihydro-1H-indene-2-carboxylic acid.

What is the SMILES notation for (1S,2R)-1-[2-(8-ethoxy-2-methylimidazo[1,2-a]pyridin-3-yl)-2-oxoethyl]-4-methyl-2,3-dihydro-1H-indene-2-carboxylic acid?

The canonical SMILES for (1S,2R)-1-[2-(8-ethoxy-2-methylimidazo[1,2-a]pyridin-3-yl)-2-oxoethyl]-4-methyl-2,3-dihydro-1H-indene-2-carboxylic acid is CCOc1cccn2c(C(=O)C[C@@H]3c4cccc(C)c4C[C@H]3C(=O)O)c(C)nc12.

What is the InChIKey of (1S,2R)-1-[2-(8-ethoxy-2-methylimidazo[1,2-a]pyridin-3-yl)-2-oxoethyl]-4-methyl-2,3-dihydro-1H-indene-2-carboxylic acid?

The InChIKey is LDWRPMTYBWYSGM-QZTJIDSGSA-N. The full InChI is InChI=1S/C23H24N2O4/c1-4-29-20-9-6-10-25-21(14(3)24-22(20)25)19(26)12-17-15-8-5-7-13(2)16(15)11-18(17)23(27)28/h5-10,17-18H,4,11-12H2,1-3H3,(H,27,28)/t17-,18-/m1/s1.

What are the key properties of (1S,2R)-1-[2-(8-ethoxy-2-methylimidazo[1,2-a]pyridin-3-yl)-2-oxoethyl]-4-methyl-2,3-dihydro-1H-indene-2-carboxylic acid?

(1S,2R)-1-[2-(8-ethoxy-2-methylimidazo[1,2-a]pyridin-3-yl)-2-oxoethyl]-4-methyl-2,3-dihydro-1H-indene-2-carboxylic acid has a molecular weight of 392.46 g/mol, XLogP of 3.96, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (1S,2R)-1-[2-(8-ethoxy-2-methylimidazo[1,2-a]pyridin-3-yl)-2-oxoethyl]-4-methyl-2,3-dihydro-1H-indene-2-carboxylic acid is sourced from PubChem (CID 159322024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).