methyl (2R)-2-[3-[3-(imidazo[1,2-a]pyridine-3-carbonylamino)-4-methylphenyl]-1,2,4-oxadiazol-5-yl]morpholine-4-carboxylate

C23H22N6O5 — CID 71289394

IUPACmethyl (2R)-2-[3-[3-(imidazo[1,2-a]pyridine-3-carbonylamino)-4-methylphenyl]-1,2,4-oxadiazol-5-yl]morpholine-4-carboxylate
SMILESCOC(=O)N1CCO[C@@H](c2nc(-c3ccc(C)c(NC(=O)c4cnc5ccccn45)c3)no2)C1
InChIInChI=1S/C23H22N6O5/c1-14-6-7-15(11-16(14)25-21(30)17-12-24-19-5-3-4-8-29(17)19)20-26-22(34-27-20)18-13-28(9-10-33-18)23(31)32-2/h3-8,11-12,18H,9-10,13H2,1-2H3,(H,25,30)/t18-/m1/s1
InChIKeyVJYCJBUHKBKMIM-GOSISDBHSA-N
MW462.47 g/mol
LogP3.08
Rot. Bonds4

About methyl (2R)-2-[3-[3-(imidazo[1,2-a]pyridine-3-carbonylamino)-4-methylphenyl]-1,2,4-oxadiazol-5-yl]morpholine-4-carboxylate

methyl (2R)-2-[3-[3-(imidazo[1,2-a]pyridine-3-carbonylamino)-4-methylphenyl]-1,2,4-oxadiazol-5-yl]morpholine-4-carboxylate (PubChem CID 71289394) has the molecular formula C23H22N6O5 and a molecular weight of 462.47 g/mol. Its IUPAC name is methyl (2R)-2-[3-[3-(imidazo[1,2-a]pyridine-3-carbonylamino)-4-methylphenyl]-1,2,4-oxadiazol-5-yl]morpholine-4-carboxylate.

Molecular Properties

Compound Namemethyl (2R)-2-[3-[3-(imidazo[1,2-a]pyridine-3-carbonylamino)-4-methylphenyl]-1,2,4-oxadiazol-5-yl]morpholine-4-carboxylate
PubChem CID71289394
Molecular FormulaC23H22N6O5
Molecular Weight462.47 g/mol
Exact Mass462.17
IUPAC Namemethyl (2R)-2-[3-[3-(imidazo[1,2-a]pyridine-3-carbonylamino)-4-methylphenyl]-1,2,4-oxadiazol-5-yl]morpholine-4-carboxylate
SMILESCOC(=O)N1CCO[C@@H](c2nc(-c3ccc(C)c(NC(=O)c4cnc5ccccn45)c3)no2)C1
InChIInChI=1S/C23H22N6O5/c1-14-6-7-15(11-16(14)25-21(30)17-12-24-19-5-3-4-8-29(17)19)20-26-22(34-27-20)18-13-28(9-10-33-18)23(31)32-2/h3-8,11-12,18H,9-10,13H2,1-2H3,(H,25,30)/t18-/m1/s1
InChIKeyVJYCJBUHKBKMIM-GOSISDBHSA-N
XLogP3.08
TPSA124.09 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.47
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

N-[5-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-2-methylphenyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 71280864
N-[5-[5-[(2R)-azetidin-2-yl]-1,2,4-oxadiazol-3-yl]-2-methylphenyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 171796698
N-[2-methyl-5-[5-[(2R)-1-methylsulfonylazetidin-2-yl]-1,2,4-oxadiazol-3-yl]phenyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 171796777
1-[2-[3-[3-(imidazo[1,2-a]pyridin-3-ylmethylamino)-4-methylphenyl]-1,2,4-oxadiazol-5-yl]morpholin-4-yl]ethanone
CID 123508903
N-[2-methyl-5-[5-[3-(methylsulfanylamino)cyclobutyl]-1,2,4-oxadiazol-3-yl]phenyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 144544788
N-[2-methyl-5-(5-spiro[3.3]heptan-2-yl-1,2,4-oxadiazol-3-yl)phenyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 171796609
N-[2-methyl-5-[5-[1-(2,2,2-trifluoroethyl)azetidin-3-yl]-1,2,4-oxadiazol-3-yl]phenyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 150587498
tert-butyl (3S)-3-[3-[3-(imidazo[1,2-a]pyridine-3-carbonylamino)-4-methylphenyl]-1,2,4-oxadiazol-5-yl]morpholine-4-carboxylate
CID 71289319
tert-butyl 3-[3-[3-[3-(imidazo[1,2-a]pyridine-3-carbonylamino)-4-methylphenyl]-1,2,4-oxadiazol-5-yl]azetidin-1-yl]sulfonylpyrrolidine-1-carboxylate
CID 71280695
methyl 3-[3-[3-[3-(imidazo[1,2-a]pyridine-3-carbonylamino)-4-methylphenyl]-1,2,4-oxadiazol-5-yl]azetidin-1-yl]sulfanylpropanoate
CID 139515275
N-[2-methyl-5-[5-[(3R)-4-methylsulfonylmorpholin-3-yl]-1,2,4-oxadiazol-3-yl]phenyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 71281317
N-[2-methyl-5-[5-[(2R)-4-oxopyrrolidin-2-yl]-1,2,4-oxadiazol-3-yl]phenyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 171796718

Frequently Asked Questions

What is the IUPAC name of methyl (2R)-2-[3-[3-(imidazo[1,2-a]pyridine-3-carbonylamino)-4-methylphenyl]-1,2,4-oxadiazol-5-yl]morpholine-4-carboxylate?
The IUPAC name of methyl (2R)-2-[3-[3-(imidazo[1,2-a]pyridine-3-carbonylamino)-4-methylphenyl]-1,2,4-oxadiazol-5-yl]morpholine-4-carboxylate (CID 71289394) is methyl (2R)-2-[3-[3-(imidazo[1,2-a]pyridine-3-carbonylamino)-4-methylphenyl]-1,2,4-oxadiazol-5-yl]morpholine-4-carboxylate.
What is the SMILES notation for methyl (2R)-2-[3-[3-(imidazo[1,2-a]pyridine-3-carbonylamino)-4-methylphenyl]-1,2,4-oxadiazol-5-yl]morpholine-4-carboxylate?
The canonical SMILES for methyl (2R)-2-[3-[3-(imidazo[1,2-a]pyridine-3-carbonylamino)-4-methylphenyl]-1,2,4-oxadiazol-5-yl]morpholine-4-carboxylate is COC(=O)N1CCO[C@@H](c2nc(-c3ccc(C)c(NC(=O)c4cnc5ccccn45)c3)no2)C1.
What is the InChIKey of methyl (2R)-2-[3-[3-(imidazo[1,2-a]pyridine-3-carbonylamino)-4-methylphenyl]-1,2,4-oxadiazol-5-yl]morpholine-4-carboxylate?
The InChIKey is VJYCJBUHKBKMIM-GOSISDBHSA-N. The full InChI is InChI=1S/C23H22N6O5/c1-14-6-7-15(11-16(14)25-21(30)17-12-24-19-5-3-4-8-29(17)19)20-26-22(34-27-20)18-13-28(9-10-33-18)23(31)32-2/h3-8,11-12,18H,9-10,13H2,1-2H3,(H,25,30)/t18-/m1/s1.
What are the key properties of methyl (2R)-2-[3-[3-(imidazo[1,2-a]pyridine-3-carbonylamino)-4-methylphenyl]-1,2,4-oxadiazol-5-yl]morpholine-4-carboxylate?
methyl (2R)-2-[3-[3-(imidazo[1,2-a]pyridine-3-carbonylamino)-4-methylphenyl]-1,2,4-oxadiazol-5-yl]morpholine-4-carboxylate has a molecular weight of 462.47 g/mol, XLogP of 3.08, 4 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R)-2-[3-[3-(imidazo[1,2-a]pyridine-3-carbonylamino)-4-methylphenyl]-1,2,4-oxadiazol-5-yl]morpholine-4-carboxylate is sourced from PubChem (CID 71289394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).