N-pyridin-3-yl-8-[2-(2,2,2-trifluoroethoxy)phenyl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxamide

C22H14F6N4O2 — CID 162763719

IUPACN-pyridin-3-yl-8-[2-(2,2,2-trifluoroethoxy)phenyl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxamide
SMILESO=C(Nc1cccnc1)c1cn2cc(C(F)(F)F)cc(-c3ccccc3OCC(F)(F)F)c2n1
InChIInChI=1S/C22H14F6N4O2/c23-21(24,25)12-34-18-6-2-1-5-15(18)16-8-13(22(26,27)28)10-32-11-17(31-19(16)32)20(33)30-14-4-3-7-29-9-14/h1-11H,12H2,(H,30,33)
InChIKeyKRLKVWQAZFBPGZ-UHFFFAOYSA-N
MW480.37 g/mol
LogP5.61
Rot. Bonds5

About N-pyridin-3-yl-8-[2-(2,2,2-trifluoroethoxy)phenyl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxamide

N-pyridin-3-yl-8-[2-(2,2,2-trifluoroethoxy)phenyl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxamide (PubChem CID 162763719) has the molecular formula C22H14F6N4O2 and a molecular weight of 480.37 g/mol. Its IUPAC name is N-pyridin-3-yl-8-[2-(2,2,2-trifluoroethoxy)phenyl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-pyridin-3-yl-8-[2-(2,2,2-trifluoroethoxy)phenyl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxamide
PubChem CID162763719
Molecular FormulaC22H14F6N4O2
Molecular Weight480.37 g/mol
Exact Mass480.10
IUPAC NameN-pyridin-3-yl-8-[2-(2,2,2-trifluoroethoxy)phenyl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxamide
SMILESO=C(Nc1cccnc1)c1cn2cc(C(F)(F)F)cc(-c3ccccc3OCC(F)(F)F)c2n1
InChIInChI=1S/C22H14F6N4O2/c23-21(24,25)12-34-18-6-2-1-5-15(18)16-8-13(22(26,27)28)10-32-11-17(31-19(16)32)20(33)30-14-4-3-7-29-9-14/h1-11H,12H2,(H,30,33)
InChIKeyKRLKVWQAZFBPGZ-UHFFFAOYSA-N
XLogP5.61
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500480.37
LogP ≤ 55.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-pyridin-3-yl-8-[2-(2,2,2-trifluoroethoxy)phenyl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxamide?
The IUPAC name of N-pyridin-3-yl-8-[2-(2,2,2-trifluoroethoxy)phenyl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxamide (CID 162763719) is N-pyridin-3-yl-8-[2-(2,2,2-trifluoroethoxy)phenyl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxamide.
What is the SMILES notation for N-pyridin-3-yl-8-[2-(2,2,2-trifluoroethoxy)phenyl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxamide?
The canonical SMILES for N-pyridin-3-yl-8-[2-(2,2,2-trifluoroethoxy)phenyl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxamide is O=C(Nc1cccnc1)c1cn2cc(C(F)(F)F)cc(-c3ccccc3OCC(F)(F)F)c2n1.
What is the InChIKey of N-pyridin-3-yl-8-[2-(2,2,2-trifluoroethoxy)phenyl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxamide?
The InChIKey is KRLKVWQAZFBPGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H14F6N4O2/c23-21(24,25)12-34-18-6-2-1-5-15(18)16-8-13(22(26,27)28)10-32-11-17(31-19(16)32)20(33)30-14-4-3-7-29-9-14/h1-11H,12H2,(H,30,33).
What are the key properties of N-pyridin-3-yl-8-[2-(2,2,2-trifluoroethoxy)phenyl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxamide?
N-pyridin-3-yl-8-[2-(2,2,2-trifluoroethoxy)phenyl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxamide has a molecular weight of 480.37 g/mol, XLogP of 5.61, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-pyridin-3-yl-8-[2-(2,2,2-trifluoroethoxy)phenyl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxamide is sourced from PubChem (CID 162763719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).