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

C23H20N6O3S — CID 71282356

IUPAC6-[2-(hydroxymethyl)-4-methyl-1,3-thiazol-5-yl]-N-[2-methyl-5-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]imidazo[1,2-a]pyridine-3-carboxamide
SMILESCc1nc(-c2ccc(C)c(NC(=O)c3cnc4ccc(-c5sc(CO)nc5C)cn34)c2)no1
InChIInChI=1S/C23H20N6O3S/c1-12-4-5-15(22-26-14(3)32-28-22)8-17(12)27-23(31)18-9-24-19-7-6-16(10-29(18)19)21-13(2)25-20(11-30)33-21/h4-10,30H,11H2,1-3H3,(H,27,31)
InChIKeyYPSNTSALAQICAC-UHFFFAOYSA-N
MW460.52 g/mol
LogP4.18
Rot. Bonds5

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

6-[2-(hydroxymethyl)-4-methyl-1,3-thiazol-5-yl]-N-[2-methyl-5-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]imidazo[1,2-a]pyridine-3-carboxamide (PubChem CID 71282356) has the molecular formula C23H20N6O3S and a molecular weight of 460.52 g/mol. Its IUPAC name is 6-[2-(hydroxymethyl)-4-methyl-1,3-thiazol-5-yl]-N-[2-methyl-5-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]imidazo[1,2-a]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-[2-(hydroxymethyl)-4-methyl-1,3-thiazol-5-yl]-N-[2-methyl-5-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]imidazo[1,2-a]pyridine-3-carboxamide
PubChem CID71282356
Molecular FormulaC23H20N6O3S
Molecular Weight460.52 g/mol
Exact Mass460.13
IUPAC Name6-[2-(hydroxymethyl)-4-methyl-1,3-thiazol-5-yl]-N-[2-methyl-5-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]imidazo[1,2-a]pyridine-3-carboxamide
SMILESCc1nc(-c2ccc(C)c(NC(=O)c3cnc4ccc(-c5sc(CO)nc5C)cn34)c2)no1
InChIInChI=1S/C23H20N6O3S/c1-12-4-5-15(22-26-14(3)32-28-22)8-17(12)27-23(31)18-9-24-19-7-6-16(10-29(18)19)21-13(2)25-20(11-30)33-21/h4-10,30H,11H2,1-3H3,(H,27,31)
InChIKeyYPSNTSALAQICAC-UHFFFAOYSA-N
XLogP4.18
TPSA118.44 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.52
LogP ≤ 54.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 6-[2-(hydroxymethyl)-4-methyl-1,3-thiazol-5-yl]-N-[2-methyl-5-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]imidazo[1,2-a]pyridine-3-carboxamide?
The IUPAC name of 6-[2-(hydroxymethyl)-4-methyl-1,3-thiazol-5-yl]-N-[2-methyl-5-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]imidazo[1,2-a]pyridine-3-carboxamide (CID 71282356) is 6-[2-(hydroxymethyl)-4-methyl-1,3-thiazol-5-yl]-N-[2-methyl-5-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]imidazo[1,2-a]pyridine-3-carboxamide.
What is the SMILES notation for 6-[2-(hydroxymethyl)-4-methyl-1,3-thiazol-5-yl]-N-[2-methyl-5-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]imidazo[1,2-a]pyridine-3-carboxamide?
The canonical SMILES for 6-[2-(hydroxymethyl)-4-methyl-1,3-thiazol-5-yl]-N-[2-methyl-5-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]imidazo[1,2-a]pyridine-3-carboxamide is Cc1nc(-c2ccc(C)c(NC(=O)c3cnc4ccc(-c5sc(CO)nc5C)cn34)c2)no1.
What is the InChIKey of 6-[2-(hydroxymethyl)-4-methyl-1,3-thiazol-5-yl]-N-[2-methyl-5-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]imidazo[1,2-a]pyridine-3-carboxamide?
The InChIKey is YPSNTSALAQICAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N6O3S/c1-12-4-5-15(22-26-14(3)32-28-22)8-17(12)27-23(31)18-9-24-19-7-6-16(10-29(18)19)21-13(2)25-20(11-30)33-21/h4-10,30H,11H2,1-3H3,(H,27,31).
What are the key properties of 6-[2-(hydroxymethyl)-4-methyl-1,3-thiazol-5-yl]-N-[2-methyl-5-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]imidazo[1,2-a]pyridine-3-carboxamide?
6-[2-(hydroxymethyl)-4-methyl-1,3-thiazol-5-yl]-N-[2-methyl-5-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]imidazo[1,2-a]pyridine-3-carboxamide has a molecular weight of 460.52 g/mol, XLogP of 4.18, 5 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(hydroxymethyl)-4-methyl-1,3-thiazol-5-yl]-N-[2-methyl-5-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]imidazo[1,2-a]pyridine-3-carboxamide is sourced from PubChem (CID 71282356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).