N-[5-[5-[1-(methanesulfonamido)cyclopropyl]-1,2,4-oxadiazol-3-yl]-2-methylphenyl]imidazo[1,2-a]pyridine-3-carboxamide

C21H20N6O4S — CID 71280379

IUPACN-[5-[5-[1-(methanesulfonamido)cyclopropyl]-1,2,4-oxadiazol-3-yl]-2-methylphenyl]imidazo[1,2-a]pyridine-3-carboxamide
SMILESCc1ccc(-c2noc(C3(NS(C)(=O)=O)CC3)n2)cc1NC(=O)c1cnc2ccccn12
InChIInChI=1S/C21H20N6O4S/c1-13-6-7-14(18-24-20(31-25-18)21(8-9-21)26-32(2,29)30)11-15(13)23-19(28)16-12-22-17-5-3-4-10-27(16)17/h3-7,10-12,26H,8-9H2,1-2H3,(H,23,28)
InChIKeyLSYNSQSFZORUPT-UHFFFAOYSA-N
MW452.50 g/mol
LogP2.48
Rot. Bonds6

About N-[5-[5-[1-(methanesulfonamido)cyclopropyl]-1,2,4-oxadiazol-3-yl]-2-methylphenyl]imidazo[1,2-a]pyridine-3-carboxamide

N-[5-[5-[1-(methanesulfonamido)cyclopropyl]-1,2,4-oxadiazol-3-yl]-2-methylphenyl]imidazo[1,2-a]pyridine-3-carboxamide (PubChem CID 71280379) has the molecular formula C21H20N6O4S and a molecular weight of 452.50 g/mol. Its IUPAC name is N-[5-[5-[1-(methanesulfonamido)cyclopropyl]-1,2,4-oxadiazol-3-yl]-2-methylphenyl]imidazo[1,2-a]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[5-[5-[1-(methanesulfonamido)cyclopropyl]-1,2,4-oxadiazol-3-yl]-2-methylphenyl]imidazo[1,2-a]pyridine-3-carboxamide
PubChem CID71280379
Molecular FormulaC21H20N6O4S
Molecular Weight452.50 g/mol
Exact Mass452.13
IUPAC NameN-[5-[5-[1-(methanesulfonamido)cyclopropyl]-1,2,4-oxadiazol-3-yl]-2-methylphenyl]imidazo[1,2-a]pyridine-3-carboxamide
SMILESCc1ccc(-c2noc(C3(NS(C)(=O)=O)CC3)n2)cc1NC(=O)c1cnc2ccccn12
InChIInChI=1S/C21H20N6O4S/c1-13-6-7-14(18-24-20(31-25-18)21(8-9-21)26-32(2,29)30)11-15(13)23-19(28)16-12-22-17-5-3-4-10-27(16)17/h3-7,10-12,26H,8-9H2,1-2H3,(H,23,28)
InChIKeyLSYNSQSFZORUPT-UHFFFAOYSA-N
XLogP2.48
TPSA131.49 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.50
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

N-[5-[5-[1-[[hydroxy(methoxy)methyl]amino]cyclopropyl]-1,2,4-oxadiazol-3-yl]-2-methylphenyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 123789189
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-[5-[5-(3-aminooxetan-3-yl)-1,2,4-oxadiazol-3-yl]-2-methylphenyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 71281406
methyl N-[3,3-difluoro-1-[3-[3-(imidazo[1,2-a]pyridine-3-carbonylamino)-4-methylphenyl]-1,2,4-oxadiazol-5-yl]cyclobutyl]carbamate
CID 71280654
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-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-[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-[2-(1-hydroxycyclopropyl)ethyl]-1,2,4-oxadiazol-3-yl]-2-methylphenyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 71280638
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-pyridin-2-yl-1,2,4-oxadiazol-3-yl)phenyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 71281735
ethane;N-[5-[5-[2-(1-hydroxycyclopropyl)ethyl]-1,2,4-oxadiazol-3-yl]-2-methylphenyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 144545115

Frequently Asked Questions

What is the IUPAC name of N-[5-[5-[1-(methanesulfonamido)cyclopropyl]-1,2,4-oxadiazol-3-yl]-2-methylphenyl]imidazo[1,2-a]pyridine-3-carboxamide?
The IUPAC name of N-[5-[5-[1-(methanesulfonamido)cyclopropyl]-1,2,4-oxadiazol-3-yl]-2-methylphenyl]imidazo[1,2-a]pyridine-3-carboxamide (CID 71280379) is N-[5-[5-[1-(methanesulfonamido)cyclopropyl]-1,2,4-oxadiazol-3-yl]-2-methylphenyl]imidazo[1,2-a]pyridine-3-carboxamide.
What is the SMILES notation for N-[5-[5-[1-(methanesulfonamido)cyclopropyl]-1,2,4-oxadiazol-3-yl]-2-methylphenyl]imidazo[1,2-a]pyridine-3-carboxamide?
The canonical SMILES for N-[5-[5-[1-(methanesulfonamido)cyclopropyl]-1,2,4-oxadiazol-3-yl]-2-methylphenyl]imidazo[1,2-a]pyridine-3-carboxamide is Cc1ccc(-c2noc(C3(NS(C)(=O)=O)CC3)n2)cc1NC(=O)c1cnc2ccccn12.
What is the InChIKey of N-[5-[5-[1-(methanesulfonamido)cyclopropyl]-1,2,4-oxadiazol-3-yl]-2-methylphenyl]imidazo[1,2-a]pyridine-3-carboxamide?
The InChIKey is LSYNSQSFZORUPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N6O4S/c1-13-6-7-14(18-24-20(31-25-18)21(8-9-21)26-32(2,29)30)11-15(13)23-19(28)16-12-22-17-5-3-4-10-27(16)17/h3-7,10-12,26H,8-9H2,1-2H3,(H,23,28).
What are the key properties of N-[5-[5-[1-(methanesulfonamido)cyclopropyl]-1,2,4-oxadiazol-3-yl]-2-methylphenyl]imidazo[1,2-a]pyridine-3-carboxamide?
N-[5-[5-[1-(methanesulfonamido)cyclopropyl]-1,2,4-oxadiazol-3-yl]-2-methylphenyl]imidazo[1,2-a]pyridine-3-carboxamide has a molecular weight of 452.50 g/mol, XLogP of 2.48, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[5-[1-(methanesulfonamido)cyclopropyl]-1,2,4-oxadiazol-3-yl]-2-methylphenyl]imidazo[1,2-a]pyridine-3-carboxamide is sourced from PubChem (CID 71280379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).