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

C21H20N6O4S — CID 171796777

IUPACN-[2-methyl-5-[5-[(2R)-1-methylsulfonylazetidin-2-yl]-1,2,4-oxadiazol-3-yl]phenyl]imidazo[1,2-a]pyridine-3-carboxamide
SMILESCc1ccc(-c2noc([C@H]3CCN3S(C)(=O)=O)n2)cc1NC(=O)c1cnc2ccccn12
InChIInChI=1S/C21H20N6O4S/c1-13-6-7-14(19-24-21(31-25-19)16-8-10-27(16)32(2,29)30)11-15(13)23-20(28)17-12-22-18-5-3-4-9-26(17)18/h3-7,9,11-12,16H,8,10H2,1-2H3,(H,23,28)/t16-/m1/s1
InChIKeyBNPWLSHNXHUMGD-MRXNPFEDSA-N
MW452.50 g/mol
LogP2.65
Rot. Bonds5

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

N-[2-methyl-5-[5-[(2R)-1-methylsulfonylazetidin-2-yl]-1,2,4-oxadiazol-3-yl]phenyl]imidazo[1,2-a]pyridine-3-carboxamide (PubChem CID 171796777) has the molecular formula C21H20N6O4S and a molecular weight of 452.50 g/mol. Its IUPAC name is N-[2-methyl-5-[5-[(2R)-1-methylsulfonylazetidin-2-yl]-1,2,4-oxadiazol-3-yl]phenyl]imidazo[1,2-a]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[2-methyl-5-[5-[(2R)-1-methylsulfonylazetidin-2-yl]-1,2,4-oxadiazol-3-yl]phenyl]imidazo[1,2-a]pyridine-3-carboxamide
PubChem CID171796777
Molecular FormulaC21H20N6O4S
Molecular Weight452.50 g/mol
Exact Mass452.13
IUPAC NameN-[2-methyl-5-[5-[(2R)-1-methylsulfonylazetidin-2-yl]-1,2,4-oxadiazol-3-yl]phenyl]imidazo[1,2-a]pyridine-3-carboxamide
SMILESCc1ccc(-c2noc([C@H]3CCN3S(C)(=O)=O)n2)cc1NC(=O)c1cnc2ccccn12
InChIInChI=1S/C21H20N6O4S/c1-13-6-7-14(19-24-21(31-25-19)16-8-10-27(16)32(2,29)30)11-15(13)23-20(28)17-12-22-18-5-3-4-9-26(17)18/h3-7,9,11-12,16H,8,10H2,1-2H3,(H,23,28)/t16-/m1/s1
InChIKeyBNPWLSHNXHUMGD-MRXNPFEDSA-N
XLogP2.65
TPSA122.70 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.50
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

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N-[5-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-2-methylphenyl]imidazo[1,2-a]pyridine-3-carboxamide
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N-[5-[5-[(2R)-azetidin-2-yl]-1,2,4-oxadiazol-3-yl]-2-methylphenyl]imidazo[1,2-a]pyridine-3-carboxamide
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N-[5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-methylphenyl]imidazo[1,2-a]pyridine-3-carboxamide;methanesulfonamide
CID 171796253
methyl (2R)-2-[3-[3-(imidazo[1,2-a]pyridine-3-carbonylamino)-4-methylphenyl]-1,2,4-oxadiazol-5-yl]morpholine-4-carboxylate
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N-[5-[5-[1-(methanesulfonamido)cyclopropyl]-1,2,4-oxadiazol-3-yl]-2-methylphenyl]imidazo[1,2-a]pyridine-3-carboxamide
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CID 171796718
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N-[2-methyl-5-[5-[(3-methylsulfonylazetidin-1-yl)methyl]-1,2,4-oxadiazol-3-yl]phenyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 71289586

Frequently Asked Questions

What is the IUPAC name of N-[2-methyl-5-[5-[(2R)-1-methylsulfonylazetidin-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-[(2R)-1-methylsulfonylazetidin-2-yl]-1,2,4-oxadiazol-3-yl]phenyl]imidazo[1,2-a]pyridine-3-carboxamide (CID 171796777) is N-[2-methyl-5-[5-[(2R)-1-methylsulfonylazetidin-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-[(2R)-1-methylsulfonylazetidin-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-[(2R)-1-methylsulfonylazetidin-2-yl]-1,2,4-oxadiazol-3-yl]phenyl]imidazo[1,2-a]pyridine-3-carboxamide is Cc1ccc(-c2noc([C@H]3CCN3S(C)(=O)=O)n2)cc1NC(=O)c1cnc2ccccn12.
What is the InChIKey of N-[2-methyl-5-[5-[(2R)-1-methylsulfonylazetidin-2-yl]-1,2,4-oxadiazol-3-yl]phenyl]imidazo[1,2-a]pyridine-3-carboxamide?
The InChIKey is BNPWLSHNXHUMGD-MRXNPFEDSA-N. The full InChI is InChI=1S/C21H20N6O4S/c1-13-6-7-14(19-24-21(31-25-19)16-8-10-27(16)32(2,29)30)11-15(13)23-20(28)17-12-22-18-5-3-4-9-26(17)18/h3-7,9,11-12,16H,8,10H2,1-2H3,(H,23,28)/t16-/m1/s1.
What are the key properties of N-[2-methyl-5-[5-[(2R)-1-methylsulfonylazetidin-2-yl]-1,2,4-oxadiazol-3-yl]phenyl]imidazo[1,2-a]pyridine-3-carboxamide?
N-[2-methyl-5-[5-[(2R)-1-methylsulfonylazetidin-2-yl]-1,2,4-oxadiazol-3-yl]phenyl]imidazo[1,2-a]pyridine-3-carboxamide has a molecular weight of 452.50 g/mol, XLogP of 2.65, 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-[(2R)-1-methylsulfonylazetidin-2-yl]-1,2,4-oxadiazol-3-yl]phenyl]imidazo[1,2-a]pyridine-3-carboxamide is sourced from PubChem (CID 171796777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).