8-[2-(2,2,2-trifluoroethoxy)phenyl]-N-(2,2,2-trifluoro-1-pyridin-3-ylethyl)imidazo[1,2-a]pyridine-2-carboxamide

C23H16F6N4O2 — CID 162763710

IUPAC8-[2-(2,2,2-trifluoroethoxy)phenyl]-N-(2,2,2-trifluoro-1-pyridin-3-ylethyl)imidazo[1,2-a]pyridine-2-carboxamide
SMILESO=C(NC(c1cccnc1)C(F)(F)F)c1cn2cccc(-c3ccccc3OCC(F)(F)F)c2n1
InChIInChI=1S/C23H16F6N4O2/c24-22(25,26)13-35-18-8-2-1-6-15(18)16-7-4-10-33-12-17(31-20(16)33)21(34)32-19(23(27,28)29)14-5-3-9-30-11-14/h1-12,19H,13H2,(H,32,34)
InChIKeyJDSHMBDTLDKHCW-UHFFFAOYSA-N
MW494.40 g/mol
LogP5.37
Rot. Bonds6

About 8-[2-(2,2,2-trifluoroethoxy)phenyl]-N-(2,2,2-trifluoro-1-pyridin-3-ylethyl)imidazo[1,2-a]pyridine-2-carboxamide

8-[2-(2,2,2-trifluoroethoxy)phenyl]-N-(2,2,2-trifluoro-1-pyridin-3-ylethyl)imidazo[1,2-a]pyridine-2-carboxamide (PubChem CID 162763710) has the molecular formula C23H16F6N4O2 and a molecular weight of 494.40 g/mol. Its IUPAC name is 8-[2-(2,2,2-trifluoroethoxy)phenyl]-N-(2,2,2-trifluoro-1-pyridin-3-ylethyl)imidazo[1,2-a]pyridine-2-carboxamide.

Molecular Properties

Compound Name8-[2-(2,2,2-trifluoroethoxy)phenyl]-N-(2,2,2-trifluoro-1-pyridin-3-ylethyl)imidazo[1,2-a]pyridine-2-carboxamide
PubChem CID162763710
Molecular FormulaC23H16F6N4O2
Molecular Weight494.40 g/mol
Exact Mass494.12
IUPAC Name8-[2-(2,2,2-trifluoroethoxy)phenyl]-N-(2,2,2-trifluoro-1-pyridin-3-ylethyl)imidazo[1,2-a]pyridine-2-carboxamide
SMILESO=C(NC(c1cccnc1)C(F)(F)F)c1cn2cccc(-c3ccccc3OCC(F)(F)F)c2n1
InChIInChI=1S/C23H16F6N4O2/c24-22(25,26)13-35-18-8-2-1-6-15(18)16-7-4-10-33-12-17(31-20(16)33)21(34)32-19(23(27,28)29)14-5-3-9-30-11-14/h1-12,19H,13H2,(H,32,34)
InChIKeyJDSHMBDTLDKHCW-UHFFFAOYSA-N
XLogP5.37
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500494.40
LogP ≤ 55.37
H-Bond Donors ≤ 51
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-(2,2,2-trifluoro-1-pyridin-3-ylethyl)imidazo[1,2-a]pyridine-2-carboxamide?
The IUPAC name of 8-[2-(2,2,2-trifluoroethoxy)phenyl]-N-(2,2,2-trifluoro-1-pyridin-3-ylethyl)imidazo[1,2-a]pyridine-2-carboxamide (CID 162763710) is 8-[2-(2,2,2-trifluoroethoxy)phenyl]-N-(2,2,2-trifluoro-1-pyridin-3-ylethyl)imidazo[1,2-a]pyridine-2-carboxamide.
What is the SMILES notation for 8-[2-(2,2,2-trifluoroethoxy)phenyl]-N-(2,2,2-trifluoro-1-pyridin-3-ylethyl)imidazo[1,2-a]pyridine-2-carboxamide?
The canonical SMILES for 8-[2-(2,2,2-trifluoroethoxy)phenyl]-N-(2,2,2-trifluoro-1-pyridin-3-ylethyl)imidazo[1,2-a]pyridine-2-carboxamide is O=C(NC(c1cccnc1)C(F)(F)F)c1cn2cccc(-c3ccccc3OCC(F)(F)F)c2n1.
What is the InChIKey of 8-[2-(2,2,2-trifluoroethoxy)phenyl]-N-(2,2,2-trifluoro-1-pyridin-3-ylethyl)imidazo[1,2-a]pyridine-2-carboxamide?
The InChIKey is JDSHMBDTLDKHCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16F6N4O2/c24-22(25,26)13-35-18-8-2-1-6-15(18)16-7-4-10-33-12-17(31-20(16)33)21(34)32-19(23(27,28)29)14-5-3-9-30-11-14/h1-12,19H,13H2,(H,32,34).
What are the key properties of 8-[2-(2,2,2-trifluoroethoxy)phenyl]-N-(2,2,2-trifluoro-1-pyridin-3-ylethyl)imidazo[1,2-a]pyridine-2-carboxamide?
8-[2-(2,2,2-trifluoroethoxy)phenyl]-N-(2,2,2-trifluoro-1-pyridin-3-ylethyl)imidazo[1,2-a]pyridine-2-carboxamide has a molecular weight of 494.40 g/mol, XLogP of 5.37, 6 rotatable bonds, 1 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-(2,2,2-trifluoro-1-pyridin-3-ylethyl)imidazo[1,2-a]pyridine-2-carboxamide is sourced from PubChem (CID 162763710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).