N-(1-hydroxy-2-methylpropan-2-yl)-8-[2-(2,2,2-trifluoroethoxy)phenyl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxamide

C21H19F6N3O3 — CID 162763758

IUPACN-(1-hydroxy-2-methylpropan-2-yl)-8-[2-(2,2,2-trifluoroethoxy)phenyl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxamide
SMILESCC(C)(CO)NC(=O)c1cn2cc(C(F)(F)F)cc(-c3ccccc3OCC(F)(F)F)c2n1
InChIInChI=1S/C21H19F6N3O3/c1-19(2,10-31)29-18(32)15-9-30-8-12(21(25,26)27)7-14(17(30)28-15)13-5-3-4-6-16(13)33-11-20(22,23)24/h3-9,31H,10-11H2,1-2H3,(H,29,32)
InChIKeyXUGJXDSTIMSLEC-UHFFFAOYSA-N
MW475.39 g/mol
LogP4.46
Rot. Bonds6

About N-(1-hydroxy-2-methylpropan-2-yl)-8-[2-(2,2,2-trifluoroethoxy)phenyl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxamide

N-(1-hydroxy-2-methylpropan-2-yl)-8-[2-(2,2,2-trifluoroethoxy)phenyl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxamide (PubChem CID 162763758) has the molecular formula C21H19F6N3O3 and a molecular weight of 475.39 g/mol. Its IUPAC name is N-(1-hydroxy-2-methylpropan-2-yl)-8-[2-(2,2,2-trifluoroethoxy)phenyl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(1-hydroxy-2-methylpropan-2-yl)-8-[2-(2,2,2-trifluoroethoxy)phenyl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxamide
PubChem CID162763758
Molecular FormulaC21H19F6N3O3
Molecular Weight475.39 g/mol
Exact Mass475.13
IUPAC NameN-(1-hydroxy-2-methylpropan-2-yl)-8-[2-(2,2,2-trifluoroethoxy)phenyl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxamide
SMILESCC(C)(CO)NC(=O)c1cn2cc(C(F)(F)F)cc(-c3ccccc3OCC(F)(F)F)c2n1
InChIInChI=1S/C21H19F6N3O3/c1-19(2,10-31)29-18(32)15-9-30-8-12(21(25,26)27)7-14(17(30)28-15)13-5-3-4-6-16(13)33-11-20(22,23)24/h3-9,31H,10-11H2,1-2H3,(H,29,32)
InChIKeyXUGJXDSTIMSLEC-UHFFFAOYSA-N
XLogP4.46
TPSA75.86 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.39
LogP ≤ 54.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(1-hydroxy-2-methylpropan-2-yl)-8-[2-(2,2,2-trifluoroethoxy)phenyl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxamide?
The IUPAC name of N-(1-hydroxy-2-methylpropan-2-yl)-8-[2-(2,2,2-trifluoroethoxy)phenyl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxamide (CID 162763758) is N-(1-hydroxy-2-methylpropan-2-yl)-8-[2-(2,2,2-trifluoroethoxy)phenyl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxamide.
What is the SMILES notation for N-(1-hydroxy-2-methylpropan-2-yl)-8-[2-(2,2,2-trifluoroethoxy)phenyl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxamide?
The canonical SMILES for N-(1-hydroxy-2-methylpropan-2-yl)-8-[2-(2,2,2-trifluoroethoxy)phenyl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxamide is CC(C)(CO)NC(=O)c1cn2cc(C(F)(F)F)cc(-c3ccccc3OCC(F)(F)F)c2n1.
What is the InChIKey of N-(1-hydroxy-2-methylpropan-2-yl)-8-[2-(2,2,2-trifluoroethoxy)phenyl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxamide?
The InChIKey is XUGJXDSTIMSLEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19F6N3O3/c1-19(2,10-31)29-18(32)15-9-30-8-12(21(25,26)27)7-14(17(30)28-15)13-5-3-4-6-16(13)33-11-20(22,23)24/h3-9,31H,10-11H2,1-2H3,(H,29,32).
What are the key properties of N-(1-hydroxy-2-methylpropan-2-yl)-8-[2-(2,2,2-trifluoroethoxy)phenyl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxamide?
N-(1-hydroxy-2-methylpropan-2-yl)-8-[2-(2,2,2-trifluoroethoxy)phenyl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxamide has a molecular weight of 475.39 g/mol, XLogP of 4.46, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-hydroxy-2-methylpropan-2-yl)-8-[2-(2,2,2-trifluoroethoxy)phenyl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxamide is sourced from PubChem (CID 162763758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).