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

C27H24N8O2S — CID 71281433

IUPACN-[5-[5-[(3-cyanoazetidin-1-yl)methyl]-1,2,4-oxadiazol-3-yl]-2-methylphenyl]-6-(2,4-dimethyl-1,3-thiazol-5-yl)imidazo[1,2-a]pyridine-3-carboxamide
SMILESCc1nc(C)c(-c2ccc3ncc(C(=O)Nc4cc(-c5noc(CN6CC(C#N)C6)n5)ccc4C)n3c2)s1
InChIInChI=1S/C27H24N8O2S/c1-15-4-5-19(26-32-24(37-33-26)14-34-11-18(9-28)12-34)8-21(15)31-27(36)22-10-29-23-7-6-20(13-35(22)23)25-16(2)30-17(3)38-25/h4-8,10,13,18H,11-12,14H2,1-3H3,(H,31,36)
InChIKeyXKKRKCASQZDTNW-UHFFFAOYSA-N
MW524.61 g/mol
LogP4.64
Rot. Bonds6

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

N-[5-[5-[(3-cyanoazetidin-1-yl)methyl]-1,2,4-oxadiazol-3-yl]-2-methylphenyl]-6-(2,4-dimethyl-1,3-thiazol-5-yl)imidazo[1,2-a]pyridine-3-carboxamide (PubChem CID 71281433) has the molecular formula C27H24N8O2S and a molecular weight of 524.61 g/mol. Its IUPAC name is N-[5-[5-[(3-cyanoazetidin-1-yl)methyl]-1,2,4-oxadiazol-3-yl]-2-methylphenyl]-6-(2,4-dimethyl-1,3-thiazol-5-yl)imidazo[1,2-a]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[5-[5-[(3-cyanoazetidin-1-yl)methyl]-1,2,4-oxadiazol-3-yl]-2-methylphenyl]-6-(2,4-dimethyl-1,3-thiazol-5-yl)imidazo[1,2-a]pyridine-3-carboxamide
PubChem CID71281433
Molecular FormulaC27H24N8O2S
Molecular Weight524.61 g/mol
Exact Mass524.17
IUPAC NameN-[5-[5-[(3-cyanoazetidin-1-yl)methyl]-1,2,4-oxadiazol-3-yl]-2-methylphenyl]-6-(2,4-dimethyl-1,3-thiazol-5-yl)imidazo[1,2-a]pyridine-3-carboxamide
SMILESCc1nc(C)c(-c2ccc3ncc(C(=O)Nc4cc(-c5noc(CN6CC(C#N)C6)n5)ccc4C)n3c2)s1
InChIInChI=1S/C27H24N8O2S/c1-15-4-5-19(26-32-24(37-33-26)14-34-11-18(9-28)12-34)8-21(15)31-27(36)22-10-29-23-7-6-20(13-35(22)23)25-16(2)30-17(3)38-25/h4-8,10,13,18H,11-12,14H2,1-3H3,(H,31,36)
InChIKeyXKKRKCASQZDTNW-UHFFFAOYSA-N
XLogP4.64
TPSA125.24 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500524.61
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Analyze N-[5-[5-[(3-cyanoazetidin-1-yl)methyl]-1,2,4-oxadiazol-3-yl]-2-methylphenyl]-6-(2,4-dimethyl-1,3-thiazol-5-yl)imidazo[1,2-a]pyridine-3-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[5-[5-[(3-cyanoazetidin-1-yl)methyl]-1,2,4-oxadiazol-3-yl]-2-methylphenyl]-6-(2,4-dimethyl-1,3-thiazol-5-yl)imidazo[1,2-a]pyridine-3-carboxamide?
The IUPAC name of N-[5-[5-[(3-cyanoazetidin-1-yl)methyl]-1,2,4-oxadiazol-3-yl]-2-methylphenyl]-6-(2,4-dimethyl-1,3-thiazol-5-yl)imidazo[1,2-a]pyridine-3-carboxamide (CID 71281433) is N-[5-[5-[(3-cyanoazetidin-1-yl)methyl]-1,2,4-oxadiazol-3-yl]-2-methylphenyl]-6-(2,4-dimethyl-1,3-thiazol-5-yl)imidazo[1,2-a]pyridine-3-carboxamide.
What is the SMILES notation for N-[5-[5-[(3-cyanoazetidin-1-yl)methyl]-1,2,4-oxadiazol-3-yl]-2-methylphenyl]-6-(2,4-dimethyl-1,3-thiazol-5-yl)imidazo[1,2-a]pyridine-3-carboxamide?
The canonical SMILES for N-[5-[5-[(3-cyanoazetidin-1-yl)methyl]-1,2,4-oxadiazol-3-yl]-2-methylphenyl]-6-(2,4-dimethyl-1,3-thiazol-5-yl)imidazo[1,2-a]pyridine-3-carboxamide is Cc1nc(C)c(-c2ccc3ncc(C(=O)Nc4cc(-c5noc(CN6CC(C#N)C6)n5)ccc4C)n3c2)s1.
What is the InChIKey of N-[5-[5-[(3-cyanoazetidin-1-yl)methyl]-1,2,4-oxadiazol-3-yl]-2-methylphenyl]-6-(2,4-dimethyl-1,3-thiazol-5-yl)imidazo[1,2-a]pyridine-3-carboxamide?
The InChIKey is XKKRKCASQZDTNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24N8O2S/c1-15-4-5-19(26-32-24(37-33-26)14-34-11-18(9-28)12-34)8-21(15)31-27(36)22-10-29-23-7-6-20(13-35(22)23)25-16(2)30-17(3)38-25/h4-8,10,13,18H,11-12,14H2,1-3H3,(H,31,36).
What are the key properties of N-[5-[5-[(3-cyanoazetidin-1-yl)methyl]-1,2,4-oxadiazol-3-yl]-2-methylphenyl]-6-(2,4-dimethyl-1,3-thiazol-5-yl)imidazo[1,2-a]pyridine-3-carboxamide?
N-[5-[5-[(3-cyanoazetidin-1-yl)methyl]-1,2,4-oxadiazol-3-yl]-2-methylphenyl]-6-(2,4-dimethyl-1,3-thiazol-5-yl)imidazo[1,2-a]pyridine-3-carboxamide has a molecular weight of 524.61 g/mol, XLogP of 4.64, 6 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[5-[(3-cyanoazetidin-1-yl)methyl]-1,2,4-oxadiazol-3-yl]-2-methylphenyl]-6-(2,4-dimethyl-1,3-thiazol-5-yl)imidazo[1,2-a]pyridine-3-carboxamide is sourced from PubChem (CID 71281433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).