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

C21H14F4N4O2 — CID 162763748

IUPAC6-fluoro-N-pyridin-3-yl-8-[2-(2,2,2-trifluoroethoxy)phenyl]imidazo[1,2-a]pyridine-2-carboxamide
SMILESO=C(Nc1cccnc1)c1cn2cc(F)cc(-c3ccccc3OCC(F)(F)F)c2n1
InChIInChI=1S/C21H14F4N4O2/c22-13-8-16(15-5-1-2-6-18(15)31-12-21(23,24)25)19-28-17(11-29(19)10-13)20(30)27-14-4-3-7-26-9-14/h1-11H,12H2,(H,27,30)
InChIKeyJAUYYJBJXRNYQZ-UHFFFAOYSA-N
MW430.36 g/mol
LogP4.73
Rot. Bonds5

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

6-fluoro-N-pyridin-3-yl-8-[2-(2,2,2-trifluoroethoxy)phenyl]imidazo[1,2-a]pyridine-2-carboxamide (PubChem CID 162763748) has the molecular formula C21H14F4N4O2 and a molecular weight of 430.36 g/mol. Its IUPAC name is 6-fluoro-N-pyridin-3-yl-8-[2-(2,2,2-trifluoroethoxy)phenyl]imidazo[1,2-a]pyridine-2-carboxamide.

Molecular Properties

Compound Name6-fluoro-N-pyridin-3-yl-8-[2-(2,2,2-trifluoroethoxy)phenyl]imidazo[1,2-a]pyridine-2-carboxamide
PubChem CID162763748
Molecular FormulaC21H14F4N4O2
Molecular Weight430.36 g/mol
Exact Mass430.11
IUPAC Name6-fluoro-N-pyridin-3-yl-8-[2-(2,2,2-trifluoroethoxy)phenyl]imidazo[1,2-a]pyridine-2-carboxamide
SMILESO=C(Nc1cccnc1)c1cn2cc(F)cc(-c3ccccc3OCC(F)(F)F)c2n1
InChIInChI=1S/C21H14F4N4O2/c22-13-8-16(15-5-1-2-6-18(15)31-12-21(23,24)25)19-28-17(11-29(19)10-13)20(30)27-14-4-3-7-26-9-14/h1-11H,12H2,(H,27,30)
InChIKeyJAUYYJBJXRNYQZ-UHFFFAOYSA-N
XLogP4.73
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.36
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-N-pyridin-3-yl-8-[2-(2,2,2-trifluoroethoxy)phenyl]imidazo[1,2-a]pyridine-2-carboxamide?
The IUPAC name of 6-fluoro-N-pyridin-3-yl-8-[2-(2,2,2-trifluoroethoxy)phenyl]imidazo[1,2-a]pyridine-2-carboxamide (CID 162763748) is 6-fluoro-N-pyridin-3-yl-8-[2-(2,2,2-trifluoroethoxy)phenyl]imidazo[1,2-a]pyridine-2-carboxamide.
What is the SMILES notation for 6-fluoro-N-pyridin-3-yl-8-[2-(2,2,2-trifluoroethoxy)phenyl]imidazo[1,2-a]pyridine-2-carboxamide?
The canonical SMILES for 6-fluoro-N-pyridin-3-yl-8-[2-(2,2,2-trifluoroethoxy)phenyl]imidazo[1,2-a]pyridine-2-carboxamide is O=C(Nc1cccnc1)c1cn2cc(F)cc(-c3ccccc3OCC(F)(F)F)c2n1.
What is the InChIKey of 6-fluoro-N-pyridin-3-yl-8-[2-(2,2,2-trifluoroethoxy)phenyl]imidazo[1,2-a]pyridine-2-carboxamide?
The InChIKey is JAUYYJBJXRNYQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14F4N4O2/c22-13-8-16(15-5-1-2-6-18(15)31-12-21(23,24)25)19-28-17(11-29(19)10-13)20(30)27-14-4-3-7-26-9-14/h1-11H,12H2,(H,27,30).
What are the key properties of 6-fluoro-N-pyridin-3-yl-8-[2-(2,2,2-trifluoroethoxy)phenyl]imidazo[1,2-a]pyridine-2-carboxamide?
6-fluoro-N-pyridin-3-yl-8-[2-(2,2,2-trifluoroethoxy)phenyl]imidazo[1,2-a]pyridine-2-carboxamide has a molecular weight of 430.36 g/mol, XLogP of 4.73, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-N-pyridin-3-yl-8-[2-(2,2,2-trifluoroethoxy)phenyl]imidazo[1,2-a]pyridine-2-carboxamide is sourced from PubChem (CID 162763748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).