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

C22H19F3N6O2 — CID 150587498

IUPACN-[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
SMILESCc1ccc(-c2noc(C3CN(CC(F)(F)F)C3)n2)cc1NC(=O)c1cnc2ccccn12
InChIInChI=1S/C22H19F3N6O2/c1-13-5-6-14(19-28-21(33-29-19)15-10-30(11-15)12-22(23,24)25)8-16(13)27-20(32)17-9-26-18-4-2-3-7-31(17)18/h2-9,15H,10-12H2,1H3,(H,27,32)
InChIKeyIPDSFUIYKDWBDJ-UHFFFAOYSA-N
MW456.43 g/mol
LogP3.91
Rot. Bonds5

About 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

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 (PubChem CID 150587498) has the molecular formula C22H19F3N6O2 and a molecular weight of 456.43 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN-[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
PubChem CID150587498
Molecular FormulaC22H19F3N6O2
Molecular Weight456.43 g/mol
Exact Mass456.15
IUPAC NameN-[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
SMILESCc1ccc(-c2noc(C3CN(CC(F)(F)F)C3)n2)cc1NC(=O)c1cnc2ccccn12
InChIInChI=1S/C22H19F3N6O2/c1-13-5-6-14(19-28-21(33-29-19)15-10-30(11-15)12-22(23,24)25)8-16(13)27-20(32)17-9-26-18-4-2-3-7-31(17)18/h2-9,15H,10-12H2,1H3,(H,27,32)
InChIKeyIPDSFUIYKDWBDJ-UHFFFAOYSA-N
XLogP3.91
TPSA88.56 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.43
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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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-[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-(fluoromethyl)-1,2,4-oxadiazol-3-yl]-2-methylphenyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 71282200
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-[2-methyl-5-[5-[3-(methylsulfanylamino)cyclobutyl]-1,2,4-oxadiazol-3-yl]phenyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 144544788
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-[1-(trifluoromethyl)cyclopropyl]-1,2,4-oxadiazol-3-yl]phenyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 71280891
N-[2-methyl-5-[5-[(7S)-7-methyl-5,8-dioxaspiro[3.4]octan-2-yl]-1,2,4-oxadiazol-3-yl]phenyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 71280714
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-(2-hydroxy-2-methylpropyl)-1,2,4-oxadiazol-3-yl]-2-methylphenyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 71291760

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cc1ccc(-c2noc(C3CN(CC(F)(F)F)C3)n2)cc1NC(=O)c1cnc2ccccn12.
What is the InChIKey of 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?
The InChIKey is IPDSFUIYKDWBDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19F3N6O2/c1-13-5-6-14(19-28-21(33-29-19)15-10-30(11-15)12-22(23,24)25)8-16(13)27-20(32)17-9-26-18-4-2-3-7-31(17)18/h2-9,15H,10-12H2,1H3,(H,27,32).
What are the key properties of 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?
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 has a molecular weight of 456.43 g/mol, XLogP of 3.91, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 150587498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).