4-methyl-5-[3-[[2-methyl-5-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]carbamoyl]imidazo[1,2-a]pyridin-6-yl]-1,3-thiazole-2-carboxylic acid

C23H18N6O4S — CID 71282236

IUPAC4-methyl-5-[3-[[2-methyl-5-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]carbamoyl]imidazo[1,2-a]pyridin-6-yl]-1,3-thiazole-2-carboxylic acid
SMILESCc1nc(-c2ccc(C)c(NC(=O)c3cnc4ccc(-c5sc(C(=O)O)nc5C)cn34)c2)no1
InChIInChI=1S/C23H18N6O4S/c1-11-4-5-14(20-26-13(3)33-28-20)8-16(11)27-21(30)17-9-24-18-7-6-15(10-29(17)18)19-12(2)25-22(34-19)23(31)32/h4-10H,1-3H3,(H,27,30)(H,31,32)
InChIKeyHKCBAZYLVKTRKJ-UHFFFAOYSA-N
MW474.50 g/mol
LogP4.38
Rot. Bonds5

About 4-methyl-5-[3-[[2-methyl-5-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]carbamoyl]imidazo[1,2-a]pyridin-6-yl]-1,3-thiazole-2-carboxylic acid

4-methyl-5-[3-[[2-methyl-5-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]carbamoyl]imidazo[1,2-a]pyridin-6-yl]-1,3-thiazole-2-carboxylic acid (PubChem CID 71282236) has the molecular formula C23H18N6O4S and a molecular weight of 474.50 g/mol. Its IUPAC name is 4-methyl-5-[3-[[2-methyl-5-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]carbamoyl]imidazo[1,2-a]pyridin-6-yl]-1,3-thiazole-2-carboxylic acid.

Molecular Properties

Compound Name4-methyl-5-[3-[[2-methyl-5-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]carbamoyl]imidazo[1,2-a]pyridin-6-yl]-1,3-thiazole-2-carboxylic acid
PubChem CID71282236
Molecular FormulaC23H18N6O4S
Molecular Weight474.50 g/mol
Exact Mass474.11
IUPAC Name4-methyl-5-[3-[[2-methyl-5-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]carbamoyl]imidazo[1,2-a]pyridin-6-yl]-1,3-thiazole-2-carboxylic acid
SMILESCc1nc(-c2ccc(C)c(NC(=O)c3cnc4ccc(-c5sc(C(=O)O)nc5C)cn34)c2)no1
InChIInChI=1S/C23H18N6O4S/c1-11-4-5-14(20-26-13(3)33-28-20)8-16(11)27-21(30)17-9-24-18-7-6-15(10-29(17)18)19-12(2)25-22(34-19)23(31)32/h4-10H,1-3H3,(H,27,30)(H,31,32)
InChIKeyHKCBAZYLVKTRKJ-UHFFFAOYSA-N
XLogP4.38
TPSA135.51 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.50
LogP ≤ 54.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 4-methyl-5-[3-[[2-methyl-5-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]carbamoyl]imidazo[1,2-a]pyridin-6-yl]-1,3-thiazole-2-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-methyl-5-[3-[[2-methyl-5-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]carbamoyl]imidazo[1,2-a]pyridin-6-yl]-1,3-thiazole-2-carboxylic acid?
The IUPAC name of 4-methyl-5-[3-[[2-methyl-5-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]carbamoyl]imidazo[1,2-a]pyridin-6-yl]-1,3-thiazole-2-carboxylic acid (CID 71282236) is 4-methyl-5-[3-[[2-methyl-5-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]carbamoyl]imidazo[1,2-a]pyridin-6-yl]-1,3-thiazole-2-carboxylic acid.
What is the SMILES notation for 4-methyl-5-[3-[[2-methyl-5-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]carbamoyl]imidazo[1,2-a]pyridin-6-yl]-1,3-thiazole-2-carboxylic acid?
The canonical SMILES for 4-methyl-5-[3-[[2-methyl-5-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]carbamoyl]imidazo[1,2-a]pyridin-6-yl]-1,3-thiazole-2-carboxylic acid is Cc1nc(-c2ccc(C)c(NC(=O)c3cnc4ccc(-c5sc(C(=O)O)nc5C)cn34)c2)no1.
What is the InChIKey of 4-methyl-5-[3-[[2-methyl-5-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]carbamoyl]imidazo[1,2-a]pyridin-6-yl]-1,3-thiazole-2-carboxylic acid?
The InChIKey is HKCBAZYLVKTRKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18N6O4S/c1-11-4-5-14(20-26-13(3)33-28-20)8-16(11)27-21(30)17-9-24-18-7-6-15(10-29(17)18)19-12(2)25-22(34-19)23(31)32/h4-10H,1-3H3,(H,27,30)(H,31,32).
What are the key properties of 4-methyl-5-[3-[[2-methyl-5-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]carbamoyl]imidazo[1,2-a]pyridin-6-yl]-1,3-thiazole-2-carboxylic acid?
4-methyl-5-[3-[[2-methyl-5-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]carbamoyl]imidazo[1,2-a]pyridin-6-yl]-1,3-thiazole-2-carboxylic acid has a molecular weight of 474.50 g/mol, XLogP of 4.38, 5 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-5-[3-[[2-methyl-5-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]carbamoyl]imidazo[1,2-a]pyridin-6-yl]-1,3-thiazole-2-carboxylic acid is sourced from PubChem (CID 71282236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).