N-[2-methyl-5-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-7-(1-methylpyrazol-3-yl)imidazo[1,2-a]pyridine-3-carboxamide;oxolane;sulfane

C26H29N7O3S — CID 178051275

IUPACN-[2-methyl-5-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-7-(1-methylpyrazol-3-yl)imidazo[1,2-a]pyridine-3-carboxamide;oxolane;sulfane
SMILESC1CCOC1.Cc1nc(-c2ccc(C)c(NC(=O)c3cnc4cc(-c5ccn(C)n5)ccn34)c2)no1.S
InChIInChI=1S/C22H19N7O2.C4H8O.H2S/c1-13-4-5-16(21-24-14(2)31-27-21)10-18(13)25-22(30)19-12-23-20-11-15(6-9-29(19)20)17-7-8-28(3)26-17;1-2-4-5-3-1;/h4-12H,1-3H3,(H,25,30);1-4H2;1H2
InChIKeyUPOAUAOCTYWHMR-UHFFFAOYSA-N
MW519.63 g/mol
LogP4.56
Rot. Bonds4

About N-[2-methyl-5-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-7-(1-methylpyrazol-3-yl)imidazo[1,2-a]pyridine-3-carboxamide;oxolane;sulfane

N-[2-methyl-5-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-7-(1-methylpyrazol-3-yl)imidazo[1,2-a]pyridine-3-carboxamide;oxolane;sulfane (PubChem CID 178051275) has the molecular formula C26H29N7O3S and a molecular weight of 519.63 g/mol. Its IUPAC name is N-[2-methyl-5-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-7-(1-methylpyrazol-3-yl)imidazo[1,2-a]pyridine-3-carboxamide;oxolane;sulfane.

Molecular Properties

Compound NameN-[2-methyl-5-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-7-(1-methylpyrazol-3-yl)imidazo[1,2-a]pyridine-3-carboxamide;oxolane;sulfane
PubChem CID178051275
Molecular FormulaC26H29N7O3S
Molecular Weight519.63 g/mol
Exact Mass519.21
IUPAC NameN-[2-methyl-5-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-7-(1-methylpyrazol-3-yl)imidazo[1,2-a]pyridine-3-carboxamide;oxolane;sulfane
SMILESC1CCOC1.Cc1nc(-c2ccc(C)c(NC(=O)c3cnc4cc(-c5ccn(C)n5)ccn34)c2)no1.S
InChIInChI=1S/C22H19N7O2.C4H8O.H2S/c1-13-4-5-16(21-24-14(2)31-27-21)10-18(13)25-22(30)19-12-23-20-11-15(6-9-29(19)20)17-7-8-28(3)26-17;1-2-4-5-3-1;/h4-12H,1-3H3,(H,25,30);1-4H2;1H2
InChIKeyUPOAUAOCTYWHMR-UHFFFAOYSA-N
XLogP4.56
TPSA112.37 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500519.63
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze N-[2-methyl-5-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-7-(1-methylpyrazol-3-yl)imidazo[1,2-a]pyridine-3-carboxamide;oxolane;sulfane with MolForge

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Related Compounds

N-[2-methyl-5-(1-methylpyrazol-3-yl)phenyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 171795473
N-[2-methyl-5-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-7-[(2R)-2-methylmorpholin-4-yl]imidazo[1,2-a]pyridine-3-carboxamide
CID 178051365
N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)piperidin-3-yl]-7-(1-methylpyrazol-3-yl)imidazo[1,2-a]pyridine-3-carboxamide;sulfane
CID 178051219
8-amino-N-[2-methyl-5-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 178051545
methyl 3-[3-[4-methyl-3-[[7-(1H-pyrazol-5-yl)imidazo[1,2-a]pyridine-3-carbonyl]amino]phenyl]-1,2,4-oxadiazol-5-yl]azetidine-1-carboxylate
CID 71280918
N-[5-[5-(3-aminooxetan-3-yl)-1,2,4-oxadiazol-3-yl]-2-methylphenyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 71281406
N-[2-methyl-5-[5-(morpholin-4-ylmethyl)-1,2,4-oxadiazol-3-yl]phenyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 71281207
7-methyl-N-[2-methyl-5-[5-(3-oxobutyl)-1,2,4-oxadiazol-3-yl]phenyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 71286120
N-[2-methyl-5-(5-pyridin-2-yl-1,2,4-oxadiazol-3-yl)phenyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 71281735
N-[5-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-2-methylphenyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 71280864
N-[5-[5-[(2S)-2-fluorocyclopropyl]-1,2,4-oxadiazol-3-yl]-2-methylphenyl]-7-pyrrolidin-1-ylimidazo[1,2-a]pyridine-3-carboxamide
CID 171796858
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-methyl-5-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-7-(1-methylpyrazol-3-yl)imidazo[1,2-a]pyridine-3-carboxamide;oxolane;sulfane?
The IUPAC name of N-[2-methyl-5-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-7-(1-methylpyrazol-3-yl)imidazo[1,2-a]pyridine-3-carboxamide;oxolane;sulfane (CID 178051275) is N-[2-methyl-5-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-7-(1-methylpyrazol-3-yl)imidazo[1,2-a]pyridine-3-carboxamide;oxolane;sulfane.
What is the SMILES notation for N-[2-methyl-5-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-7-(1-methylpyrazol-3-yl)imidazo[1,2-a]pyridine-3-carboxamide;oxolane;sulfane?
The canonical SMILES for N-[2-methyl-5-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-7-(1-methylpyrazol-3-yl)imidazo[1,2-a]pyridine-3-carboxamide;oxolane;sulfane is C1CCOC1.Cc1nc(-c2ccc(C)c(NC(=O)c3cnc4cc(-c5ccn(C)n5)ccn34)c2)no1.S.
What is the InChIKey of N-[2-methyl-5-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-7-(1-methylpyrazol-3-yl)imidazo[1,2-a]pyridine-3-carboxamide;oxolane;sulfane?
The InChIKey is UPOAUAOCTYWHMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N7O2.C4H8O.H2S/c1-13-4-5-16(21-24-14(2)31-27-21)10-18(13)25-22(30)19-12-23-20-11-15(6-9-29(19)20)17-7-8-28(3)26-17;1-2-4-5-3-1;/h4-12H,1-3H3,(H,25,30);1-4H2;1H2.
What are the key properties of N-[2-methyl-5-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-7-(1-methylpyrazol-3-yl)imidazo[1,2-a]pyridine-3-carboxamide;oxolane;sulfane?
N-[2-methyl-5-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-7-(1-methylpyrazol-3-yl)imidazo[1,2-a]pyridine-3-carboxamide;oxolane;sulfane has a molecular weight of 519.63 g/mol, XLogP of 4.56, 4 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methyl-5-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-7-(1-methylpyrazol-3-yl)imidazo[1,2-a]pyridine-3-carboxamide;oxolane;sulfane is sourced from PubChem (CID 178051275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).