N-[2-fluoro-5-[5-(1-propylsulfanylazetidin-3-yl)-1,2,4-oxadiazol-3-yl]phenyl]imidazo[1,2-a]pyridine-3-carboxamide

C22H21FN6O2S — CID 139515192

IUPACN-[2-fluoro-5-[5-(1-propylsulfanylazetidin-3-yl)-1,2,4-oxadiazol-3-yl]phenyl]imidazo[1,2-a]pyridine-3-carboxamide
SMILESCCCSN1CC(c2nc(-c3ccc(F)c(NC(=O)c4cnc5ccccn45)c3)no2)C1
InChIInChI=1S/C22H21FN6O2S/c1-2-9-32-28-12-15(13-28)22-26-20(27-31-22)14-6-7-16(23)17(10-14)25-21(30)18-11-24-19-5-3-4-8-29(18)19/h3-8,10-11,15H,2,9,12-13H2,1H3,(H,25,30)
InChIKeyRYYFHNDLQQXCKJ-UHFFFAOYSA-N
MW452.52 g/mol
LogP4.23
Rot. Bonds7

About N-[2-fluoro-5-[5-(1-propylsulfanylazetidin-3-yl)-1,2,4-oxadiazol-3-yl]phenyl]imidazo[1,2-a]pyridine-3-carboxamide

N-[2-fluoro-5-[5-(1-propylsulfanylazetidin-3-yl)-1,2,4-oxadiazol-3-yl]phenyl]imidazo[1,2-a]pyridine-3-carboxamide (PubChem CID 139515192) has the molecular formula C22H21FN6O2S and a molecular weight of 452.52 g/mol. Its IUPAC name is N-[2-fluoro-5-[5-(1-propylsulfanylazetidin-3-yl)-1,2,4-oxadiazol-3-yl]phenyl]imidazo[1,2-a]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[2-fluoro-5-[5-(1-propylsulfanylazetidin-3-yl)-1,2,4-oxadiazol-3-yl]phenyl]imidazo[1,2-a]pyridine-3-carboxamide
PubChem CID139515192
Molecular FormulaC22H21FN6O2S
Molecular Weight452.52 g/mol
Exact Mass452.14
IUPAC NameN-[2-fluoro-5-[5-(1-propylsulfanylazetidin-3-yl)-1,2,4-oxadiazol-3-yl]phenyl]imidazo[1,2-a]pyridine-3-carboxamide
SMILESCCCSN1CC(c2nc(-c3ccc(F)c(NC(=O)c4cnc5ccccn45)c3)no2)C1
InChIInChI=1S/C22H21FN6O2S/c1-2-9-32-28-12-15(13-28)22-26-20(27-31-22)14-6-7-16(23)17(10-14)25-21(30)18-11-24-19-5-3-4-8-29(18)19/h3-8,10-11,15H,2,9,12-13H2,1H3,(H,25,30)
InChIKeyRYYFHNDLQQXCKJ-UHFFFAOYSA-N
XLogP4.23
TPSA88.56 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.52
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

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-[5-[5-(1-butylsulfanylazetidin-3-yl)-1,2,4-oxadiazol-3-yl]-2-fluorophenyl]formamide;3-methylimidazo[1,2-a]pyridine
CID 144545275
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-[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-[5-[5-[3-(difluoromethyl)-3-hydroxycyclobutyl]-1,2,4-oxadiazol-3-yl]-2-methylphenyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 171796958
N-[5-[5-[3-(2-fluoroethoxy)cyclobutyl]-1,2,4-oxadiazol-3-yl]-2-methylphenyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 171796241
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-[2-fluoro-5-[5-(1-propylsulfanylazetidin-3-yl)-1,2,4-oxadiazol-3-yl]phenyl]imidazo[1,2-a]pyridine-3-carboxamide?
The IUPAC name of 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) is N-[2-fluoro-5-[5-(1-propylsulfanylazetidin-3-yl)-1,2,4-oxadiazol-3-yl]phenyl]imidazo[1,2-a]pyridine-3-carboxamide.
What is the SMILES notation for N-[2-fluoro-5-[5-(1-propylsulfanylazetidin-3-yl)-1,2,4-oxadiazol-3-yl]phenyl]imidazo[1,2-a]pyridine-3-carboxamide?
The canonical SMILES for N-[2-fluoro-5-[5-(1-propylsulfanylazetidin-3-yl)-1,2,4-oxadiazol-3-yl]phenyl]imidazo[1,2-a]pyridine-3-carboxamide is CCCSN1CC(c2nc(-c3ccc(F)c(NC(=O)c4cnc5ccccn45)c3)no2)C1.
What is the InChIKey of N-[2-fluoro-5-[5-(1-propylsulfanylazetidin-3-yl)-1,2,4-oxadiazol-3-yl]phenyl]imidazo[1,2-a]pyridine-3-carboxamide?
The InChIKey is RYYFHNDLQQXCKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21FN6O2S/c1-2-9-32-28-12-15(13-28)22-26-20(27-31-22)14-6-7-16(23)17(10-14)25-21(30)18-11-24-19-5-3-4-8-29(18)19/h3-8,10-11,15H,2,9,12-13H2,1H3,(H,25,30).
What are the key properties of N-[2-fluoro-5-[5-(1-propylsulfanylazetidin-3-yl)-1,2,4-oxadiazol-3-yl]phenyl]imidazo[1,2-a]pyridine-3-carboxamide?
N-[2-fluoro-5-[5-(1-propylsulfanylazetidin-3-yl)-1,2,4-oxadiazol-3-yl]phenyl]imidazo[1,2-a]pyridine-3-carboxamide has a molecular weight of 452.52 g/mol, XLogP of 4.23, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-fluoro-5-[5-(1-propylsulfanylazetidin-3-yl)-1,2,4-oxadiazol-3-yl]phenyl]imidazo[1,2-a]pyridine-3-carboxamide is sourced from PubChem (CID 139515192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).