N-[5-[5-(1-butylsulfonylazetidin-3-yl)-1,2,4-oxadiazol-3-yl]-2-fluorophenyl]imidazo[1,2-a]pyridine-3-carboxamide

C23H23FN6O4S — CID 71280982

IUPACN-[5-[5-(1-butylsulfonylazetidin-3-yl)-1,2,4-oxadiazol-3-yl]-2-fluorophenyl]imidazo[1,2-a]pyridine-3-carboxamide
SMILESCCCCS(=O)(=O)N1CC(c2nc(-c3ccc(F)c(NC(=O)c4cnc5ccccn45)c3)no2)C1
InChIInChI=1S/C23H23FN6O4S/c1-2-3-10-35(32,33)29-13-16(14-29)23-27-21(28-34-23)15-7-8-17(24)18(11-15)26-22(31)19-12-25-20-6-4-5-9-30(19)20/h4-9,11-12,16H,2-3,10,13-14H2,1H3,(H,26,31)
InChIKeySCRBYAVXPIPFMD-UHFFFAOYSA-N
MW498.54 g/mol
LogP3.30
Rot. Bonds8

About N-[5-[5-(1-butylsulfonylazetidin-3-yl)-1,2,4-oxadiazol-3-yl]-2-fluorophenyl]imidazo[1,2-a]pyridine-3-carboxamide

N-[5-[5-(1-butylsulfonylazetidin-3-yl)-1,2,4-oxadiazol-3-yl]-2-fluorophenyl]imidazo[1,2-a]pyridine-3-carboxamide (PubChem CID 71280982) has the molecular formula C23H23FN6O4S and a molecular weight of 498.54 g/mol. Its IUPAC name is N-[5-[5-(1-butylsulfonylazetidin-3-yl)-1,2,4-oxadiazol-3-yl]-2-fluorophenyl]imidazo[1,2-a]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[5-[5-(1-butylsulfonylazetidin-3-yl)-1,2,4-oxadiazol-3-yl]-2-fluorophenyl]imidazo[1,2-a]pyridine-3-carboxamide
PubChem CID71280982
Molecular FormulaC23H23FN6O4S
Molecular Weight498.54 g/mol
Exact Mass498.15
IUPAC NameN-[5-[5-(1-butylsulfonylazetidin-3-yl)-1,2,4-oxadiazol-3-yl]-2-fluorophenyl]imidazo[1,2-a]pyridine-3-carboxamide
SMILESCCCCS(=O)(=O)N1CC(c2nc(-c3ccc(F)c(NC(=O)c4cnc5ccccn45)c3)no2)C1
InChIInChI=1S/C23H23FN6O4S/c1-2-3-10-35(32,33)29-13-16(14-29)23-27-21(28-34-23)15-7-8-17(24)18(11-15)26-22(31)19-12-25-20-6-4-5-9-30(19)20/h4-9,11-12,16H,2-3,10,13-14H2,1H3,(H,26,31)
InChIKeySCRBYAVXPIPFMD-UHFFFAOYSA-N
XLogP3.30
TPSA122.70 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500498.54
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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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-[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-cyclopropyl-1,2,4-oxadiazol-3-yl)-2-methylphenyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 71280864
N-[5-[5-(3,3-difluorocyclobutyl)-1,2,4-oxadiazol-3-yl]-3-fluoro-2-methylphenyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 169268599
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-[5-[5-[3-(difluoromethyl)-3-hydroxycyclobutyl]-1,2,4-oxadiazol-3-yl]-2-methylphenyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 171796958
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
N-[5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-methylphenyl]imidazo[1,2-a]pyridine-3-carboxamide;methanesulfonamide
CID 171796253
N-[5-[5-[3-(2-fluoroethoxy)cyclobutyl]-1,2,4-oxadiazol-3-yl]-2-methylphenyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 171796241
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-[5-[5-(fluoromethyl)-1,2,4-oxadiazol-3-yl]-2-methylphenyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 71282200

Frequently Asked Questions

What is the IUPAC name of N-[5-[5-(1-butylsulfonylazetidin-3-yl)-1,2,4-oxadiazol-3-yl]-2-fluorophenyl]imidazo[1,2-a]pyridine-3-carboxamide?
The IUPAC name of N-[5-[5-(1-butylsulfonylazetidin-3-yl)-1,2,4-oxadiazol-3-yl]-2-fluorophenyl]imidazo[1,2-a]pyridine-3-carboxamide (CID 71280982) is N-[5-[5-(1-butylsulfonylazetidin-3-yl)-1,2,4-oxadiazol-3-yl]-2-fluorophenyl]imidazo[1,2-a]pyridine-3-carboxamide.
What is the SMILES notation for N-[5-[5-(1-butylsulfonylazetidin-3-yl)-1,2,4-oxadiazol-3-yl]-2-fluorophenyl]imidazo[1,2-a]pyridine-3-carboxamide?
The canonical SMILES for N-[5-[5-(1-butylsulfonylazetidin-3-yl)-1,2,4-oxadiazol-3-yl]-2-fluorophenyl]imidazo[1,2-a]pyridine-3-carboxamide is CCCCS(=O)(=O)N1CC(c2nc(-c3ccc(F)c(NC(=O)c4cnc5ccccn45)c3)no2)C1.
What is the InChIKey of N-[5-[5-(1-butylsulfonylazetidin-3-yl)-1,2,4-oxadiazol-3-yl]-2-fluorophenyl]imidazo[1,2-a]pyridine-3-carboxamide?
The InChIKey is SCRBYAVXPIPFMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23FN6O4S/c1-2-3-10-35(32,33)29-13-16(14-29)23-27-21(28-34-23)15-7-8-17(24)18(11-15)26-22(31)19-12-25-20-6-4-5-9-30(19)20/h4-9,11-12,16H,2-3,10,13-14H2,1H3,(H,26,31).
What are the key properties of N-[5-[5-(1-butylsulfonylazetidin-3-yl)-1,2,4-oxadiazol-3-yl]-2-fluorophenyl]imidazo[1,2-a]pyridine-3-carboxamide?
N-[5-[5-(1-butylsulfonylazetidin-3-yl)-1,2,4-oxadiazol-3-yl]-2-fluorophenyl]imidazo[1,2-a]pyridine-3-carboxamide has a molecular weight of 498.54 g/mol, XLogP of 3.30, 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-butylsulfonylazetidin-3-yl)-1,2,4-oxadiazol-3-yl]-2-fluorophenyl]imidazo[1,2-a]pyridine-3-carboxamide is sourced from PubChem (CID 71280982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).