N-[2-methyl-5-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-6-(1,3-thiazol-4-yl)imidazo[1,2-a]pyridine-3-carboxamide

C21H16N6O2S — CID 71282171

IUPACN-[2-methyl-5-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-6-(1,3-thiazol-4-yl)imidazo[1,2-a]pyridine-3-carboxamide
SMILESCc1nc(-c2ccc(C)c(NC(=O)c3cnc4ccc(-c5cscn5)cn34)c2)no1
InChIInChI=1S/C21H16N6O2S/c1-12-3-4-14(20-24-13(2)29-26-20)7-16(12)25-21(28)18-8-22-19-6-5-15(9-27(18)19)17-10-30-11-23-17/h3-11H,1-2H3,(H,25,28)
InChIKeyDOCTXQWCNHYFNO-UHFFFAOYSA-N
MW416.47 g/mol
LogP4.38
Rot. Bonds4

About N-[2-methyl-5-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-6-(1,3-thiazol-4-yl)imidazo[1,2-a]pyridine-3-carboxamide

N-[2-methyl-5-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-6-(1,3-thiazol-4-yl)imidazo[1,2-a]pyridine-3-carboxamide (PubChem CID 71282171) has the molecular formula C21H16N6O2S and a molecular weight of 416.47 g/mol. Its IUPAC name is N-[2-methyl-5-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-6-(1,3-thiazol-4-yl)imidazo[1,2-a]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[2-methyl-5-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-6-(1,3-thiazol-4-yl)imidazo[1,2-a]pyridine-3-carboxamide
PubChem CID71282171
Molecular FormulaC21H16N6O2S
Molecular Weight416.47 g/mol
Exact Mass416.11
IUPAC NameN-[2-methyl-5-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-6-(1,3-thiazol-4-yl)imidazo[1,2-a]pyridine-3-carboxamide
SMILESCc1nc(-c2ccc(C)c(NC(=O)c3cnc4ccc(-c5cscn5)cn34)c2)no1
InChIInChI=1S/C21H16N6O2S/c1-12-3-4-14(20-24-13(2)29-26-20)7-16(12)25-21(28)18-8-22-19-6-5-15(9-27(18)19)17-10-30-11-23-17/h3-11H,1-2H3,(H,25,28)
InChIKeyDOCTXQWCNHYFNO-UHFFFAOYSA-N
XLogP4.38
TPSA98.21 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.47
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[2-methyl-5-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-6-(1,3-thiazol-4-yl)imidazo[1,2-a]pyridine-3-carboxamide?
The IUPAC name of N-[2-methyl-5-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-6-(1,3-thiazol-4-yl)imidazo[1,2-a]pyridine-3-carboxamide (CID 71282171) is N-[2-methyl-5-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-6-(1,3-thiazol-4-yl)imidazo[1,2-a]pyridine-3-carboxamide.
What is the SMILES notation for N-[2-methyl-5-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-6-(1,3-thiazol-4-yl)imidazo[1,2-a]pyridine-3-carboxamide?
The canonical SMILES for N-[2-methyl-5-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-6-(1,3-thiazol-4-yl)imidazo[1,2-a]pyridine-3-carboxamide is Cc1nc(-c2ccc(C)c(NC(=O)c3cnc4ccc(-c5cscn5)cn34)c2)no1.
What is the InChIKey of N-[2-methyl-5-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-6-(1,3-thiazol-4-yl)imidazo[1,2-a]pyridine-3-carboxamide?
The InChIKey is DOCTXQWCNHYFNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16N6O2S/c1-12-3-4-14(20-24-13(2)29-26-20)7-16(12)25-21(28)18-8-22-19-6-5-15(9-27(18)19)17-10-30-11-23-17/h3-11H,1-2H3,(H,25,28).
What are the key properties of N-[2-methyl-5-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-6-(1,3-thiazol-4-yl)imidazo[1,2-a]pyridine-3-carboxamide?
N-[2-methyl-5-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-6-(1,3-thiazol-4-yl)imidazo[1,2-a]pyridine-3-carboxamide has a molecular weight of 416.47 g/mol, XLogP of 4.38, 4 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-methyl-1,2,4-oxadiazol-3-yl)phenyl]-6-(1,3-thiazol-4-yl)imidazo[1,2-a]pyridine-3-carboxamide is sourced from PubChem (CID 71282171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).