methyl (2S)-2-[[2-[2-fluoro-4-(methylcarbamoyl)phenyl]-7-(2,2,2-trifluoro-1-hydroxyethyl)imidazo[1,2-a]pyridin-3-yl]methyl]morpholine-4-carboxylate

C24H24F4N4O5 — CID 156827608

About methyl (2S)-2-[[2-[2-fluoro-4-(methylcarbamoyl)phenyl]-7-(2,2,2-trifluoro-1-hydroxyethyl)imidazo[1,2-a]pyridin-3-yl]methyl]morpholine-4-carboxylate

methyl (2S)-2-[[2-[2-fluoro-4-(methylcarbamoyl)phenyl]-7-(2,2,2-trifluoro-1-hydroxyethyl)imidazo[1,2-a]pyridin-3-yl]methyl]morpholine-4-carboxylate (PubChem CID 156827608) has the molecular formula C24H24F4N4O5 and a molecular weight of 524.47 g/mol. Its IUPAC name is methyl (2S)-2-[[2-[2-fluoro-4-(methylcarbamoyl)phenyl]-7-(2,2,2-trifluoro-1-hydroxyethyl)imidazo[1,2-a]pyridin-3-yl]methyl]morpholine-4-carboxylate.

Molecular Properties

• Compound Name: methyl (2S)-2-[[2-[2-fluoro-4-(methylcarbamoyl)phenyl]-7-(2,2,2-trifluoro-1-hydroxyethyl)imidazo[1,2-a]pyridin-3-yl]methyl]morpholine-4-carboxylate
• PubChem CID: 156827608
• Molecular Formula: C24H24F4N4O5
• Molecular Weight: 524.47 g/mol
• Exact Mass: 524.17
• IUPAC Name: methyl (2S)-2-[[2-[2-fluoro-4-(methylcarbamoyl)phenyl]-7-(2,2,2-trifluoro-1-hydroxyethyl)imidazo[1,2-a]pyridin-3-yl]methyl]morpholine-4-carboxylate
• SMILES: CNC(=O)c1ccc(-c2nc3cc(C(O)C(F)(F)F)ccn3c2C[C@H]2CN(C(=O)OC)CCO2)c(F)c1
• InChI: InChI=1S/C24H24F4N4O5/c1-29-22(34)14-3-4-16(17(25)9-14)20-18(11-15-12-31(7-8-37-15)23(35)36-2)32-6-5-13(10-19(32)30-20)21(33)24(26,27)28/h3-6,9-10,15,21,33H,7-8,11-12H2,1-2H3,(H,29,34)/t15-,21?/m0/s1
• InChIKey: BATULQKTCYMIEY-ZDGMYTEDSA-N
• XLogP: 3.11
• TPSA: 105.40 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	524.47
LogP ≤ 5	3.11
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of methyl (2S)-2-[[2-[2-fluoro-4-(methylcarbamoyl)phenyl]-7-(2,2,2-trifluoro-1-hydroxyethyl)imidazo[1,2-a]pyridin-3-yl]methyl]morpholine-4-carboxylate?

The IUPAC name of methyl (2S)-2-[[2-[2-fluoro-4-(methylcarbamoyl)phenyl]-7-(2,2,2-trifluoro-1-hydroxyethyl)imidazo[1,2-a]pyridin-3-yl]methyl]morpholine-4-carboxylate (CID 156827608) is methyl (2S)-2-[[2-[2-fluoro-4-(methylcarbamoyl)phenyl]-7-(2,2,2-trifluoro-1-hydroxyethyl)imidazo[1,2-a]pyridin-3-yl]methyl]morpholine-4-carboxylate.

What is the SMILES notation for methyl (2S)-2-[[2-[2-fluoro-4-(methylcarbamoyl)phenyl]-7-(2,2,2-trifluoro-1-hydroxyethyl)imidazo[1,2-a]pyridin-3-yl]methyl]morpholine-4-carboxylate?

The canonical SMILES for methyl (2S)-2-[[2-[2-fluoro-4-(methylcarbamoyl)phenyl]-7-(2,2,2-trifluoro-1-hydroxyethyl)imidazo[1,2-a]pyridin-3-yl]methyl]morpholine-4-carboxylate is CNC(=O)c1ccc(-c2nc3cc(C(O)C(F)(F)F)ccn3c2C[C@H]2CN(C(=O)OC)CCO2)c(F)c1.

What is the InChIKey of methyl (2S)-2-[[2-[2-fluoro-4-(methylcarbamoyl)phenyl]-7-(2,2,2-trifluoro-1-hydroxyethyl)imidazo[1,2-a]pyridin-3-yl]methyl]morpholine-4-carboxylate?

The InChIKey is BATULQKTCYMIEY-ZDGMYTEDSA-N. The full InChI is InChI=1S/C24H24F4N4O5/c1-29-22(34)14-3-4-16(17(25)9-14)20-18(11-15-12-31(7-8-37-15)23(35)36-2)32-6-5-13(10-19(32)30-20)21(33)24(26,27)28/h3-6,9-10,15,21,33H,7-8,11-12H2,1-2H3,(H,29,34)/t15-,21?/m0/s1.

What are the key properties of methyl (2S)-2-[[2-[2-fluoro-4-(methylcarbamoyl)phenyl]-7-(2,2,2-trifluoro-1-hydroxyethyl)imidazo[1,2-a]pyridin-3-yl]methyl]morpholine-4-carboxylate?

methyl (2S)-2-[[2-[2-fluoro-4-(methylcarbamoyl)phenyl]-7-(2,2,2-trifluoro-1-hydroxyethyl)imidazo[1,2-a]pyridin-3-yl]methyl]morpholine-4-carboxylate has a molecular weight of 524.47 g/mol, XLogP of 3.11, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for methyl (2S)-2-[[2-[2-fluoro-4-(methylcarbamoyl)phenyl]-7-(2,2,2-trifluoro-1-hydroxyethyl)imidazo[1,2-a]pyridin-3-yl]methyl]morpholine-4-carboxylate is sourced from PubChem (CID 156827608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).