methyl (2S)-2-[[2-[2,6-difluoro-4-[4-(2-hydroxypropan-2-yl)-1,3-oxazol-2-yl]phenyl]-7-methylimidazo[1,2-a]pyridin-3-yl]methyl]morpholine-4-carboxylate

C27H28F2N4O5 — CID 154965105

About methyl (2S)-2-[[2-[2,6-difluoro-4-[4-(2-hydroxypropan-2-yl)-1,3-oxazol-2-yl]phenyl]-7-methylimidazo[1,2-a]pyridin-3-yl]methyl]morpholine-4-carboxylate

methyl (2S)-2-[[2-[2,6-difluoro-4-[4-(2-hydroxypropan-2-yl)-1,3-oxazol-2-yl]phenyl]-7-methylimidazo[1,2-a]pyridin-3-yl]methyl]morpholine-4-carboxylate (PubChem CID 154965105) has the molecular formula C27H28F2N4O5 and a molecular weight of 526.54 g/mol. Its IUPAC name is methyl (2S)-2-[[2-[2,6-difluoro-4-[4-(2-hydroxypropan-2-yl)-1,3-oxazol-2-yl]phenyl]-7-methylimidazo[1,2-a]pyridin-3-yl]methyl]morpholine-4-carboxylate.

Molecular Properties

• Compound Name: methyl (2S)-2-[[2-[2,6-difluoro-4-[4-(2-hydroxypropan-2-yl)-1,3-oxazol-2-yl]phenyl]-7-methylimidazo[1,2-a]pyridin-3-yl]methyl]morpholine-4-carboxylate
• PubChem CID: 154965105
• Molecular Formula: C27H28F2N4O5
• Molecular Weight: 526.54 g/mol
• Exact Mass: 526.20
• IUPAC Name: methyl (2S)-2-[[2-[2,6-difluoro-4-[4-(2-hydroxypropan-2-yl)-1,3-oxazol-2-yl]phenyl]-7-methylimidazo[1,2-a]pyridin-3-yl]methyl]morpholine-4-carboxylate
• SMILES: COC(=O)N1CCO[C@@H](Cc2c(-c3c(F)cc(-c4nc(C(C)(C)O)co4)cc3F)nc3cc(C)ccn23)C1
• InChI: InChI=1S/C27H28F2N4O5/c1-15-5-6-33-20(12-17-13-32(7-8-37-17)26(34)36-4)24(31-22(33)9-15)23-18(28)10-16(11-19(23)29)25-30-21(14-38-25)27(2,3)35/h5-6,9-11,14,17,35H,7-8,12-13H2,1-4H3/t17-/m0/s1
• InChIKey: OFIPZKBQMMMFOP-KRWDZBQOSA-N
• XLogP: 4.48
• TPSA: 102.33 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	526.54
LogP ≤ 5	4.48
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of methyl (2S)-2-[[2-[2,6-difluoro-4-[4-(2-hydroxypropan-2-yl)-1,3-oxazol-2-yl]phenyl]-7-methylimidazo[1,2-a]pyridin-3-yl]methyl]morpholine-4-carboxylate?

The IUPAC name of methyl (2S)-2-[[2-[2,6-difluoro-4-[4-(2-hydroxypropan-2-yl)-1,3-oxazol-2-yl]phenyl]-7-methylimidazo[1,2-a]pyridin-3-yl]methyl]morpholine-4-carboxylate (CID 154965105) is methyl (2S)-2-[[2-[2,6-difluoro-4-[4-(2-hydroxypropan-2-yl)-1,3-oxazol-2-yl]phenyl]-7-methylimidazo[1,2-a]pyridin-3-yl]methyl]morpholine-4-carboxylate.

What is the SMILES notation for methyl (2S)-2-[[2-[2,6-difluoro-4-[4-(2-hydroxypropan-2-yl)-1,3-oxazol-2-yl]phenyl]-7-methylimidazo[1,2-a]pyridin-3-yl]methyl]morpholine-4-carboxylate?

The canonical SMILES for methyl (2S)-2-[[2-[2,6-difluoro-4-[4-(2-hydroxypropan-2-yl)-1,3-oxazol-2-yl]phenyl]-7-methylimidazo[1,2-a]pyridin-3-yl]methyl]morpholine-4-carboxylate is COC(=O)N1CCO[C@@H](Cc2c(-c3c(F)cc(-c4nc(C(C)(C)O)co4)cc3F)nc3cc(C)ccn23)C1.

What is the InChIKey of methyl (2S)-2-[[2-[2,6-difluoro-4-[4-(2-hydroxypropan-2-yl)-1,3-oxazol-2-yl]phenyl]-7-methylimidazo[1,2-a]pyridin-3-yl]methyl]morpholine-4-carboxylate?

The InChIKey is OFIPZKBQMMMFOP-KRWDZBQOSA-N. The full InChI is InChI=1S/C27H28F2N4O5/c1-15-5-6-33-20(12-17-13-32(7-8-37-17)26(34)36-4)24(31-22(33)9-15)23-18(28)10-16(11-19(23)29)25-30-21(14-38-25)27(2,3)35/h5-6,9-11,14,17,35H,7-8,12-13H2,1-4H3/t17-/m0/s1.

What are the key properties of methyl (2S)-2-[[2-[2,6-difluoro-4-[4-(2-hydroxypropan-2-yl)-1,3-oxazol-2-yl]phenyl]-7-methylimidazo[1,2-a]pyridin-3-yl]methyl]morpholine-4-carboxylate?

methyl (2S)-2-[[2-[2,6-difluoro-4-[4-(2-hydroxypropan-2-yl)-1,3-oxazol-2-yl]phenyl]-7-methylimidazo[1,2-a]pyridin-3-yl]methyl]morpholine-4-carboxylate has a molecular weight of 526.54 g/mol, XLogP of 4.48, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for methyl (2S)-2-[[2-[2,6-difluoro-4-[4-(2-hydroxypropan-2-yl)-1,3-oxazol-2-yl]phenyl]-7-methylimidazo[1,2-a]pyridin-3-yl]methyl]morpholine-4-carboxylate is sourced from PubChem (CID 154965105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).