N-[5-[5-(1-butylsulfanylazetidin-3-yl)-1,2,4-oxadiazol-3-yl]-2-fluorophenyl]formamide;3-methylimidazo[1,2-a]pyridine

C24H27FN6O2S — CID 144545275

IUPACN-[5-[5-(1-butylsulfanylazetidin-3-yl)-1,2,4-oxadiazol-3-yl]-2-fluorophenyl]formamide;3-methylimidazo[1,2-a]pyridine
SMILESCCCCSN1CC(c2nc(-c3ccc(F)c(NC=O)c3)no2)C1.Cc1cnc2ccccn12
InChIInChI=1S/C16H19FN4O2S.C8H8N2/c1-2-3-6-24-21-8-12(9-21)16-19-15(20-23-16)11-4-5-13(17)14(7-11)18-10-22;1-7-6-9-8-4-2-3-5-10(7)8/h4-5,7,10,12H,2-3,6,8-9H2,1H3,(H,18,22);2-6H,1H3
InChIKeyPJURBZMYRVJUKW-UHFFFAOYSA-N
MW482.59 g/mol
LogP4.93
Rot. Bonds8

About N-[5-[5-(1-butylsulfanylazetidin-3-yl)-1,2,4-oxadiazol-3-yl]-2-fluorophenyl]formamide;3-methylimidazo[1,2-a]pyridine

N-[5-[5-(1-butylsulfanylazetidin-3-yl)-1,2,4-oxadiazol-3-yl]-2-fluorophenyl]formamide;3-methylimidazo[1,2-a]pyridine (PubChem CID 144545275) has the molecular formula C24H27FN6O2S and a molecular weight of 482.59 g/mol. Its IUPAC name is N-[5-[5-(1-butylsulfanylazetidin-3-yl)-1,2,4-oxadiazol-3-yl]-2-fluorophenyl]formamide;3-methylimidazo[1,2-a]pyridine.

Molecular Properties

Compound NameN-[5-[5-(1-butylsulfanylazetidin-3-yl)-1,2,4-oxadiazol-3-yl]-2-fluorophenyl]formamide;3-methylimidazo[1,2-a]pyridine
PubChem CID144545275
Molecular FormulaC24H27FN6O2S
Molecular Weight482.59 g/mol
Exact Mass482.19
IUPAC NameN-[5-[5-(1-butylsulfanylazetidin-3-yl)-1,2,4-oxadiazol-3-yl]-2-fluorophenyl]formamide;3-methylimidazo[1,2-a]pyridine
SMILESCCCCSN1CC(c2nc(-c3ccc(F)c(NC=O)c3)no2)C1.Cc1cnc2ccccn12
InChIInChI=1S/C16H19FN4O2S.C8H8N2/c1-2-3-6-24-21-8-12(9-21)16-19-15(20-23-16)11-4-5-13(17)14(7-11)18-10-22;1-7-6-9-8-4-2-3-5-10(7)8/h4-5,7,10,12H,2-3,6,8-9H2,1H3,(H,18,22);2-6H,1H3
InChIKeyPJURBZMYRVJUKW-UHFFFAOYSA-N
XLogP4.93
TPSA88.56 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.59
LogP ≤ 54.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'sulphur_nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[2-fluoro-5-[5-(1-propylsulfanylazetidin-3-yl)-1,2,4-oxadiazol-3-yl]phenyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 139515192
N-[5-[5-(azetidin-3-yl)-1,2,4-oxadiazol-3-yl]-2-methylphenyl]formamide;3-methylimidazo[1,2-a]pyridine
CID 144545278
methyl formate;3-methylimidazo[1,2-a]pyridine;N-[2-methyl-5-[5-[3-(methylamino)cyclobutyl]-1,2,4-oxadiazol-3-yl]phenyl]formamide
CID 144544810
N-[5-[5-(1-butylsulfonylazetidin-3-yl)-1,2,4-oxadiazol-3-yl]-2-fluorophenyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 71280982
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-fluoro-5-[5-[1-(1-methylpyrazol-4-yl)sulfonylazetidin-3-yl]-1,2,4-oxadiazol-3-yl]phenyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 71281463
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
N-[5-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)-2-methylphenyl]formamide;3-methyl-6-(2,2,2-trifluoroethoxymethyl)imidazo[1,2-a]pyridine
CID 144544768
N-[5-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-2-methylphenyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 71280864
4-fluoro-3-formamido-N-(1-hydroxy-1-phenylpropan-2-yl)benzamide;3-methylimidazo[1,2-a]pyridine
CID 144548145
1-imidazo[1,2-a]pyridin-3-yloxy-2-[2-methyl-5-[5-(1-methylpiperidin-3-yl)-1,2,4-oxadiazol-3-yl]phenyl]hydrazine
CID 139515203
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

Frequently Asked Questions

What is the IUPAC name of N-[5-[5-(1-butylsulfanylazetidin-3-yl)-1,2,4-oxadiazol-3-yl]-2-fluorophenyl]formamide;3-methylimidazo[1,2-a]pyridine?
The IUPAC name of N-[5-[5-(1-butylsulfanylazetidin-3-yl)-1,2,4-oxadiazol-3-yl]-2-fluorophenyl]formamide;3-methylimidazo[1,2-a]pyridine (CID 144545275) is N-[5-[5-(1-butylsulfanylazetidin-3-yl)-1,2,4-oxadiazol-3-yl]-2-fluorophenyl]formamide;3-methylimidazo[1,2-a]pyridine.
What is the SMILES notation for N-[5-[5-(1-butylsulfanylazetidin-3-yl)-1,2,4-oxadiazol-3-yl]-2-fluorophenyl]formamide;3-methylimidazo[1,2-a]pyridine?
The canonical SMILES for N-[5-[5-(1-butylsulfanylazetidin-3-yl)-1,2,4-oxadiazol-3-yl]-2-fluorophenyl]formamide;3-methylimidazo[1,2-a]pyridine is CCCCSN1CC(c2nc(-c3ccc(F)c(NC=O)c3)no2)C1.Cc1cnc2ccccn12.
What is the InChIKey of N-[5-[5-(1-butylsulfanylazetidin-3-yl)-1,2,4-oxadiazol-3-yl]-2-fluorophenyl]formamide;3-methylimidazo[1,2-a]pyridine?
The InChIKey is PJURBZMYRVJUKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19FN4O2S.C8H8N2/c1-2-3-6-24-21-8-12(9-21)16-19-15(20-23-16)11-4-5-13(17)14(7-11)18-10-22;1-7-6-9-8-4-2-3-5-10(7)8/h4-5,7,10,12H,2-3,6,8-9H2,1H3,(H,18,22);2-6H,1H3.
What are the key properties of N-[5-[5-(1-butylsulfanylazetidin-3-yl)-1,2,4-oxadiazol-3-yl]-2-fluorophenyl]formamide;3-methylimidazo[1,2-a]pyridine?
N-[5-[5-(1-butylsulfanylazetidin-3-yl)-1,2,4-oxadiazol-3-yl]-2-fluorophenyl]formamide;3-methylimidazo[1,2-a]pyridine has a molecular weight of 482.59 g/mol, XLogP of 4.93, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[5-(1-butylsulfanylazetidin-3-yl)-1,2,4-oxadiazol-3-yl]-2-fluorophenyl]formamide;3-methylimidazo[1,2-a]pyridine is sourced from PubChem (CID 144545275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).