8-[2-(2,2,2-trifluoroethoxy)phenyl]-N-(1,1,1-trifluoro-3-hydroxy-2-methylpropan-2-yl)imidazo[1,2-a]pyridine-2-carboxamide

C20H17F6N3O3 — CID 162763781

IUPAC8-[2-(2,2,2-trifluoroethoxy)phenyl]-N-(1,1,1-trifluoro-3-hydroxy-2-methylpropan-2-yl)imidazo[1,2-a]pyridine-2-carboxamide
SMILESCC(CO)(NC(=O)c1cn2cccc(-c3ccccc3OCC(F)(F)F)c2n1)C(F)(F)F
InChIInChI=1S/C20H17F6N3O3/c1-18(10-30,20(24,25)26)28-17(31)14-9-29-8-4-6-13(16(29)27-14)12-5-2-3-7-15(12)32-11-19(21,22)23/h2-9,30H,10-11H2,1H3,(H,28,31)
InChIKeySQHBWROLDILDIS-UHFFFAOYSA-N
MW461.36 g/mol
LogP3.99
Rot. Bonds6

About 8-[2-(2,2,2-trifluoroethoxy)phenyl]-N-(1,1,1-trifluoro-3-hydroxy-2-methylpropan-2-yl)imidazo[1,2-a]pyridine-2-carboxamide

8-[2-(2,2,2-trifluoroethoxy)phenyl]-N-(1,1,1-trifluoro-3-hydroxy-2-methylpropan-2-yl)imidazo[1,2-a]pyridine-2-carboxamide (PubChem CID 162763781) has the molecular formula C20H17F6N3O3 and a molecular weight of 461.36 g/mol. Its IUPAC name is 8-[2-(2,2,2-trifluoroethoxy)phenyl]-N-(1,1,1-trifluoro-3-hydroxy-2-methylpropan-2-yl)imidazo[1,2-a]pyridine-2-carboxamide.

Molecular Properties

Compound Name8-[2-(2,2,2-trifluoroethoxy)phenyl]-N-(1,1,1-trifluoro-3-hydroxy-2-methylpropan-2-yl)imidazo[1,2-a]pyridine-2-carboxamide
PubChem CID162763781
Molecular FormulaC20H17F6N3O3
Molecular Weight461.36 g/mol
Exact Mass461.12
IUPAC Name8-[2-(2,2,2-trifluoroethoxy)phenyl]-N-(1,1,1-trifluoro-3-hydroxy-2-methylpropan-2-yl)imidazo[1,2-a]pyridine-2-carboxamide
SMILESCC(CO)(NC(=O)c1cn2cccc(-c3ccccc3OCC(F)(F)F)c2n1)C(F)(F)F
InChIInChI=1S/C20H17F6N3O3/c1-18(10-30,20(24,25)26)28-17(31)14-9-29-8-4-6-13(16(29)27-14)12-5-2-3-7-15(12)32-11-19(21,22)23/h2-9,30H,10-11H2,1H3,(H,28,31)
InChIKeySQHBWROLDILDIS-UHFFFAOYSA-N
XLogP3.99
TPSA75.86 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.36
LogP ≤ 53.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 8-[2-(2,2,2-trifluoroethoxy)phenyl]-N-(1,1,1-trifluoro-3-hydroxy-2-methylpropan-2-yl)imidazo[1,2-a]pyridine-2-carboxamide?
The IUPAC name of 8-[2-(2,2,2-trifluoroethoxy)phenyl]-N-(1,1,1-trifluoro-3-hydroxy-2-methylpropan-2-yl)imidazo[1,2-a]pyridine-2-carboxamide (CID 162763781) is 8-[2-(2,2,2-trifluoroethoxy)phenyl]-N-(1,1,1-trifluoro-3-hydroxy-2-methylpropan-2-yl)imidazo[1,2-a]pyridine-2-carboxamide.
What is the SMILES notation for 8-[2-(2,2,2-trifluoroethoxy)phenyl]-N-(1,1,1-trifluoro-3-hydroxy-2-methylpropan-2-yl)imidazo[1,2-a]pyridine-2-carboxamide?
The canonical SMILES for 8-[2-(2,2,2-trifluoroethoxy)phenyl]-N-(1,1,1-trifluoro-3-hydroxy-2-methylpropan-2-yl)imidazo[1,2-a]pyridine-2-carboxamide is CC(CO)(NC(=O)c1cn2cccc(-c3ccccc3OCC(F)(F)F)c2n1)C(F)(F)F.
What is the InChIKey of 8-[2-(2,2,2-trifluoroethoxy)phenyl]-N-(1,1,1-trifluoro-3-hydroxy-2-methylpropan-2-yl)imidazo[1,2-a]pyridine-2-carboxamide?
The InChIKey is SQHBWROLDILDIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17F6N3O3/c1-18(10-30,20(24,25)26)28-17(31)14-9-29-8-4-6-13(16(29)27-14)12-5-2-3-7-15(12)32-11-19(21,22)23/h2-9,30H,10-11H2,1H3,(H,28,31).
What are the key properties of 8-[2-(2,2,2-trifluoroethoxy)phenyl]-N-(1,1,1-trifluoro-3-hydroxy-2-methylpropan-2-yl)imidazo[1,2-a]pyridine-2-carboxamide?
8-[2-(2,2,2-trifluoroethoxy)phenyl]-N-(1,1,1-trifluoro-3-hydroxy-2-methylpropan-2-yl)imidazo[1,2-a]pyridine-2-carboxamide has a molecular weight of 461.36 g/mol, XLogP of 3.99, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[2-(2,2,2-trifluoroethoxy)phenyl]-N-(1,1,1-trifluoro-3-hydroxy-2-methylpropan-2-yl)imidazo[1,2-a]pyridine-2-carboxamide is sourced from PubChem (CID 162763781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).