methyl (2S)-2-[[2-(4-benzamido-2,6-difluorophenyl)-7-methylimidazo[1,2-a]pyridin-3-yl]methyl]morpholine-4-carboxylate

C28H26F2N4O4 — CID 154965154

IUPACmethyl (2S)-2-[[2-(4-benzamido-2,6-difluorophenyl)-7-methylimidazo[1,2-a]pyridin-3-yl]methyl]morpholine-4-carboxylate
SMILESCOC(=O)N1CCO[C@@H](Cc2c(-c3c(F)cc(NC(=O)c4ccccc4)cc3F)nc3cc(C)ccn23)C1
InChIInChI=1S/C28H26F2N4O4/c1-17-8-9-34-23(15-20-16-33(10-11-38-20)28(36)37-2)26(32-24(34)12-17)25-21(29)13-19(14-22(25)30)31-27(35)18-6-4-3-5-7-18/h3-9,12-14,20H,10-11,15-16H2,1-2H3,(H,31,35)/t20-/m0/s1
InChIKeySIZGZZWDYRLQOX-FQEVSTJZSA-N
MW520.54 g/mol
LogP4.85
Rot. Bonds5

About methyl (2S)-2-[[2-(4-benzamido-2,6-difluorophenyl)-7-methylimidazo[1,2-a]pyridin-3-yl]methyl]morpholine-4-carboxylate

methyl (2S)-2-[[2-(4-benzamido-2,6-difluorophenyl)-7-methylimidazo[1,2-a]pyridin-3-yl]methyl]morpholine-4-carboxylate (PubChem CID 154965154) has the molecular formula C28H26F2N4O4 and a molecular weight of 520.54 g/mol. Its IUPAC name is methyl (2S)-2-[[2-(4-benzamido-2,6-difluorophenyl)-7-methylimidazo[1,2-a]pyridin-3-yl]methyl]morpholine-4-carboxylate.

Molecular Properties

Compound Namemethyl (2S)-2-[[2-(4-benzamido-2,6-difluorophenyl)-7-methylimidazo[1,2-a]pyridin-3-yl]methyl]morpholine-4-carboxylate
PubChem CID154965154
Molecular FormulaC28H26F2N4O4
Molecular Weight520.54 g/mol
Exact Mass520.19
IUPAC Namemethyl (2S)-2-[[2-(4-benzamido-2,6-difluorophenyl)-7-methylimidazo[1,2-a]pyridin-3-yl]methyl]morpholine-4-carboxylate
SMILESCOC(=O)N1CCO[C@@H](Cc2c(-c3c(F)cc(NC(=O)c4ccccc4)cc3F)nc3cc(C)ccn23)C1
InChIInChI=1S/C28H26F2N4O4/c1-17-8-9-34-23(15-20-16-33(10-11-38-20)28(36)37-2)26(32-24(34)12-17)25-21(29)13-19(14-22(25)30)31-27(35)18-6-4-3-5-7-18/h3-9,12-14,20H,10-11,15-16H2,1-2H3,(H,31,35)/t20-/m0/s1
InChIKeySIZGZZWDYRLQOX-FQEVSTJZSA-N
XLogP4.85
TPSA85.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500520.54
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-[3,5-difluoro-4-[3-[[(2S)-4-methoxycarbonylmorpholin-2-yl]methyl]-7-methylimidazo[1,2-a]pyridin-2-yl]anilino]-2,2-dimethyl-4-oxobutanoic acid
CID 154965097
methyl (2S)-2-[[2-[2,6-difluoro-4-(propan-2-ylamino)phenyl]-7-methylimidazo[1,2-a]pyridin-3-yl]methyl]morpholine-4-carboxylate
CID 166774868
methyl (2S)-2-[[2-[2,6-difluoro-4-(2-methylphenyl)phenyl]-7-methylimidazo[1,2-a]pyridin-3-yl]methyl]morpholine-4-carboxylate
CID 154963316
methyl (2S)-2-[[2-[2,6-difluoro-4-(3-hydroxyoxetan-3-yl)phenyl]-7-methylimidazo[1,2-a]pyridin-3-yl]methyl]morpholine-4-carboxylate
CID 162354661
methyl (2R)-2-[[2-[2,6-difluoro-4-(methylcarbamoyl)phenyl]-7-methylimidazo[1,2-a]pyridin-3-yl]methyl]-1,4-oxazepane-4-carboxylate
CID 156827721
methyl 2-[[2-(2,6-difluoro-4-methoxycarbonylphenyl)-7-methylimidazo[1,2-a]pyridin-3-yl]methyl]-1,4-oxazepane-4-carboxylate
CID 169277646
methyl (2S)-2-[[2-[2,6-difluoro-4-[(4-oxocyclohexyl)amino]phenyl]-7-methylimidazo[1,2-a]pyridin-3-yl]methyl]morpholine-4-carboxylate
CID 154963277
methyl 2-[[2-[2,6-difluoro-4-(1-methylpyrrol-2-yl)phenyl]-7-methylimidazo[1,2-a]pyridin-3-yl]methyl]morpholine-4-carboxylate
CID 154963274
2-[[2-[2,6-difluoro-4-(methoxycarbamoyl)phenyl]-7-methylimidazo[1,2-a]pyridin-3-yl]methyl]morpholine-4-carboxylic acid
CID 175167830
methyl (2S)-2-[[2-[2,6-difluoro-4-(4,4,5,5-tetramethyl-1,3-dioxolan-2-yl)phenyl]-7-methylimidazo[1,2-a]pyridin-3-yl]methyl]morpholine-4-carboxylate
CID 167370633
methyl (2S)-2-[[2-(4-cyano-2-fluoro-6-methylphenyl)-7-methylimidazo[1,2-a]pyridin-3-yl]methyl]morpholine-4-carboxylate
CID 154965162
[3,5-difluoro-4-[3-[[(2S)-4-methoxycarbonylmorpholin-2-yl]methyl]-7-methylimidazo[1,2-a]pyridin-2-yl]phenyl]-methylsulfamic acid
CID 156635936

Frequently Asked Questions

What is the IUPAC name of methyl (2S)-2-[[2-(4-benzamido-2,6-difluorophenyl)-7-methylimidazo[1,2-a]pyridin-3-yl]methyl]morpholine-4-carboxylate?
The IUPAC name of methyl (2S)-2-[[2-(4-benzamido-2,6-difluorophenyl)-7-methylimidazo[1,2-a]pyridin-3-yl]methyl]morpholine-4-carboxylate (CID 154965154) is methyl (2S)-2-[[2-(4-benzamido-2,6-difluorophenyl)-7-methylimidazo[1,2-a]pyridin-3-yl]methyl]morpholine-4-carboxylate.
What is the SMILES notation for methyl (2S)-2-[[2-(4-benzamido-2,6-difluorophenyl)-7-methylimidazo[1,2-a]pyridin-3-yl]methyl]morpholine-4-carboxylate?
The canonical SMILES for methyl (2S)-2-[[2-(4-benzamido-2,6-difluorophenyl)-7-methylimidazo[1,2-a]pyridin-3-yl]methyl]morpholine-4-carboxylate is COC(=O)N1CCO[C@@H](Cc2c(-c3c(F)cc(NC(=O)c4ccccc4)cc3F)nc3cc(C)ccn23)C1.
What is the InChIKey of methyl (2S)-2-[[2-(4-benzamido-2,6-difluorophenyl)-7-methylimidazo[1,2-a]pyridin-3-yl]methyl]morpholine-4-carboxylate?
The InChIKey is SIZGZZWDYRLQOX-FQEVSTJZSA-N. The full InChI is InChI=1S/C28H26F2N4O4/c1-17-8-9-34-23(15-20-16-33(10-11-38-20)28(36)37-2)26(32-24(34)12-17)25-21(29)13-19(14-22(25)30)31-27(35)18-6-4-3-5-7-18/h3-9,12-14,20H,10-11,15-16H2,1-2H3,(H,31,35)/t20-/m0/s1.
What are the key properties of methyl (2S)-2-[[2-(4-benzamido-2,6-difluorophenyl)-7-methylimidazo[1,2-a]pyridin-3-yl]methyl]morpholine-4-carboxylate?
methyl (2S)-2-[[2-(4-benzamido-2,6-difluorophenyl)-7-methylimidazo[1,2-a]pyridin-3-yl]methyl]morpholine-4-carboxylate has a molecular weight of 520.54 g/mol, XLogP of 4.85, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S)-2-[[2-(4-benzamido-2,6-difluorophenyl)-7-methylimidazo[1,2-a]pyridin-3-yl]methyl]morpholine-4-carboxylate is sourced from PubChem (CID 154965154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).