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

C25H21F3N6O3S — CID 71282183

IUPAC6-(2,4-dimethyl-1,3-thiazol-5-yl)-N-[2-methyl-5-[5-(2,2,2-trifluoroethoxymethyl)-1,2,4-oxadiazol-3-yl]phenyl]imidazo[1,2-a]pyridine-3-carboxamide
SMILESCc1nc(C)c(-c2ccc3ncc(C(=O)Nc4cc(-c5noc(COCC(F)(F)F)n5)ccc4C)n3c2)s1
InChIInChI=1S/C25H21F3N6O3S/c1-13-4-5-16(23-32-21(37-33-23)11-36-12-25(26,27)28)8-18(13)31-24(35)19-9-29-20-7-6-17(10-34(19)20)22-14(2)30-15(3)38-22/h4-10H,11-12H2,1-3H3,(H,31,35)
InChIKeyOLQYEJXCZQVYIV-UHFFFAOYSA-N
MW542.54 g/mol
LogP5.76
Rot. Bonds7

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

6-(2,4-dimethyl-1,3-thiazol-5-yl)-N-[2-methyl-5-[5-(2,2,2-trifluoroethoxymethyl)-1,2,4-oxadiazol-3-yl]phenyl]imidazo[1,2-a]pyridine-3-carboxamide (PubChem CID 71282183) has the molecular formula C25H21F3N6O3S and a molecular weight of 542.54 g/mol. Its IUPAC name is 6-(2,4-dimethyl-1,3-thiazol-5-yl)-N-[2-methyl-5-[5-(2,2,2-trifluoroethoxymethyl)-1,2,4-oxadiazol-3-yl]phenyl]imidazo[1,2-a]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-(2,4-dimethyl-1,3-thiazol-5-yl)-N-[2-methyl-5-[5-(2,2,2-trifluoroethoxymethyl)-1,2,4-oxadiazol-3-yl]phenyl]imidazo[1,2-a]pyridine-3-carboxamide
PubChem CID71282183
Molecular FormulaC25H21F3N6O3S
Molecular Weight542.54 g/mol
Exact Mass542.13
IUPAC Name6-(2,4-dimethyl-1,3-thiazol-5-yl)-N-[2-methyl-5-[5-(2,2,2-trifluoroethoxymethyl)-1,2,4-oxadiazol-3-yl]phenyl]imidazo[1,2-a]pyridine-3-carboxamide
SMILESCc1nc(C)c(-c2ccc3ncc(C(=O)Nc4cc(-c5noc(COCC(F)(F)F)n5)ccc4C)n3c2)s1
InChIInChI=1S/C25H21F3N6O3S/c1-13-4-5-16(23-32-21(37-33-23)11-36-12-25(26,27)28)8-18(13)31-24(35)19-9-29-20-7-6-17(10-34(19)20)22-14(2)30-15(3)38-22/h4-10H,11-12H2,1-3H3,(H,31,35)
InChIKeyOLQYEJXCZQVYIV-UHFFFAOYSA-N
XLogP5.76
TPSA107.44 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500542.54
LogP ≤ 55.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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

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Frequently Asked Questions

What is the IUPAC name of 6-(2,4-dimethyl-1,3-thiazol-5-yl)-N-[2-methyl-5-[5-(2,2,2-trifluoroethoxymethyl)-1,2,4-oxadiazol-3-yl]phenyl]imidazo[1,2-a]pyridine-3-carboxamide?
The IUPAC name of 6-(2,4-dimethyl-1,3-thiazol-5-yl)-N-[2-methyl-5-[5-(2,2,2-trifluoroethoxymethyl)-1,2,4-oxadiazol-3-yl]phenyl]imidazo[1,2-a]pyridine-3-carboxamide (CID 71282183) is 6-(2,4-dimethyl-1,3-thiazol-5-yl)-N-[2-methyl-5-[5-(2,2,2-trifluoroethoxymethyl)-1,2,4-oxadiazol-3-yl]phenyl]imidazo[1,2-a]pyridine-3-carboxamide.
What is the SMILES notation for 6-(2,4-dimethyl-1,3-thiazol-5-yl)-N-[2-methyl-5-[5-(2,2,2-trifluoroethoxymethyl)-1,2,4-oxadiazol-3-yl]phenyl]imidazo[1,2-a]pyridine-3-carboxamide?
The canonical SMILES for 6-(2,4-dimethyl-1,3-thiazol-5-yl)-N-[2-methyl-5-[5-(2,2,2-trifluoroethoxymethyl)-1,2,4-oxadiazol-3-yl]phenyl]imidazo[1,2-a]pyridine-3-carboxamide is Cc1nc(C)c(-c2ccc3ncc(C(=O)Nc4cc(-c5noc(COCC(F)(F)F)n5)ccc4C)n3c2)s1.
What is the InChIKey of 6-(2,4-dimethyl-1,3-thiazol-5-yl)-N-[2-methyl-5-[5-(2,2,2-trifluoroethoxymethyl)-1,2,4-oxadiazol-3-yl]phenyl]imidazo[1,2-a]pyridine-3-carboxamide?
The InChIKey is OLQYEJXCZQVYIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21F3N6O3S/c1-13-4-5-16(23-32-21(37-33-23)11-36-12-25(26,27)28)8-18(13)31-24(35)19-9-29-20-7-6-17(10-34(19)20)22-14(2)30-15(3)38-22/h4-10H,11-12H2,1-3H3,(H,31,35).
What are the key properties of 6-(2,4-dimethyl-1,3-thiazol-5-yl)-N-[2-methyl-5-[5-(2,2,2-trifluoroethoxymethyl)-1,2,4-oxadiazol-3-yl]phenyl]imidazo[1,2-a]pyridine-3-carboxamide?
6-(2,4-dimethyl-1,3-thiazol-5-yl)-N-[2-methyl-5-[5-(2,2,2-trifluoroethoxymethyl)-1,2,4-oxadiazol-3-yl]phenyl]imidazo[1,2-a]pyridine-3-carboxamide has a molecular weight of 542.54 g/mol, XLogP of 5.76, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,4-dimethyl-1,3-thiazol-5-yl)-N-[2-methyl-5-[5-(2,2,2-trifluoroethoxymethyl)-1,2,4-oxadiazol-3-yl]phenyl]imidazo[1,2-a]pyridine-3-carboxamide is sourced from PubChem (CID 71282183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).