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

C23H24N6O2S — CID 139515235

IUPACN-[2-methyl-5-[5-(1-methylsulfanylpiperidin-2-yl)-1,2,4-oxadiazol-3-yl]phenyl]imidazo[1,2-a]pyridine-3-carboxamide
SMILESCSN1CCCCC1c1nc(-c2ccc(C)c(NC(=O)c3cnc4ccccn34)c2)no1
InChIInChI=1S/C23H24N6O2S/c1-15-9-10-16(21-26-23(31-27-21)18-7-3-6-12-29(18)32-2)13-17(15)25-22(30)19-14-24-20-8-4-5-11-28(19)20/h4-5,8-11,13-14,18H,3,6-7,12H2,1-2H3,(H,25,30)
InChIKeyOHPINKRRSZCPHJ-UHFFFAOYSA-N
MW448.55 g/mol
LogP4.75
Rot. Bonds5

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

N-[2-methyl-5-[5-(1-methylsulfanylpiperidin-2-yl)-1,2,4-oxadiazol-3-yl]phenyl]imidazo[1,2-a]pyridine-3-carboxamide (PubChem CID 139515235) has the molecular formula C23H24N6O2S and a molecular weight of 448.55 g/mol. Its IUPAC name is N-[2-methyl-5-[5-(1-methylsulfanylpiperidin-2-yl)-1,2,4-oxadiazol-3-yl]phenyl]imidazo[1,2-a]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[2-methyl-5-[5-(1-methylsulfanylpiperidin-2-yl)-1,2,4-oxadiazol-3-yl]phenyl]imidazo[1,2-a]pyridine-3-carboxamide
PubChem CID139515235
Molecular FormulaC23H24N6O2S
Molecular Weight448.55 g/mol
Exact Mass448.17
IUPAC NameN-[2-methyl-5-[5-(1-methylsulfanylpiperidin-2-yl)-1,2,4-oxadiazol-3-yl]phenyl]imidazo[1,2-a]pyridine-3-carboxamide
SMILESCSN1CCCCC1c1nc(-c2ccc(C)c(NC(=O)c3cnc4ccccn34)c2)no1
InChIInChI=1S/C23H24N6O2S/c1-15-9-10-16(21-26-23(31-27-21)18-7-3-6-12-29(18)32-2)13-17(15)25-22(30)19-14-24-20-8-4-5-11-28(19)20/h4-5,8-11,13-14,18H,3,6-7,12H2,1-2H3,(H,25,30)
InChIKeyOHPINKRRSZCPHJ-UHFFFAOYSA-N
XLogP4.75
TPSA88.56 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.55
LogP ≤ 54.75
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-cyclopropyl-1,2,4-oxadiazol-3-yl)-2-methylphenyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 71280864
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
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-[5-[5-[(2S)-2-cyanocyclobutyl]-1,2,4-oxadiazol-3-yl]-2-methylphenyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 171796825
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-(fluoromethyl)-1,2,4-oxadiazol-3-yl]-2-methylphenyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 71282200
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
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
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
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-[3-(difluoromethyl)-3-hydroxycyclobutyl]-1,2,4-oxadiazol-3-yl]-2-methylphenyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 171796958

Frequently Asked Questions

What is the IUPAC name of N-[2-methyl-5-[5-(1-methylsulfanylpiperidin-2-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-methylsulfanylpiperidin-2-yl)-1,2,4-oxadiazol-3-yl]phenyl]imidazo[1,2-a]pyridine-3-carboxamide (CID 139515235) is N-[2-methyl-5-[5-(1-methylsulfanylpiperidin-2-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-methylsulfanylpiperidin-2-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-methylsulfanylpiperidin-2-yl)-1,2,4-oxadiazol-3-yl]phenyl]imidazo[1,2-a]pyridine-3-carboxamide is CSN1CCCCC1c1nc(-c2ccc(C)c(NC(=O)c3cnc4ccccn34)c2)no1.
What is the InChIKey of N-[2-methyl-5-[5-(1-methylsulfanylpiperidin-2-yl)-1,2,4-oxadiazol-3-yl]phenyl]imidazo[1,2-a]pyridine-3-carboxamide?
The InChIKey is OHPINKRRSZCPHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N6O2S/c1-15-9-10-16(21-26-23(31-27-21)18-7-3-6-12-29(18)32-2)13-17(15)25-22(30)19-14-24-20-8-4-5-11-28(19)20/h4-5,8-11,13-14,18H,3,6-7,12H2,1-2H3,(H,25,30).
What are the key properties of N-[2-methyl-5-[5-(1-methylsulfanylpiperidin-2-yl)-1,2,4-oxadiazol-3-yl]phenyl]imidazo[1,2-a]pyridine-3-carboxamide?
N-[2-methyl-5-[5-(1-methylsulfanylpiperidin-2-yl)-1,2,4-oxadiazol-3-yl]phenyl]imidazo[1,2-a]pyridine-3-carboxamide has a molecular weight of 448.55 g/mol, XLogP of 4.75, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methyl-5-[5-(1-methylsulfanylpiperidin-2-yl)-1,2,4-oxadiazol-3-yl]phenyl]imidazo[1,2-a]pyridine-3-carboxamide is sourced from PubChem (CID 139515235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).