[6-fluoro-8-[2-(2,2,2-trifluoroethoxy)phenyl]imidazo[1,2-a]pyridin-2-yl]-(oxan-4-yl)methanol

C21H20F4N2O3 — CID 162763809

IUPAC[6-fluoro-8-[2-(2,2,2-trifluoroethoxy)phenyl]imidazo[1,2-a]pyridin-2-yl]-(oxan-4-yl)methanol
SMILESOC(c1cn2cc(F)cc(-c3ccccc3OCC(F)(F)F)c2n1)C1CCOCC1
InChIInChI=1S/C21H20F4N2O3/c22-14-9-16(15-3-1-2-4-18(15)30-12-21(23,24)25)20-26-17(11-27(20)10-14)19(28)13-5-7-29-8-6-13/h1-4,9-11,13,19,28H,5-8,12H2
InChIKeyYVLHQIXULJUNBX-UHFFFAOYSA-N
MW424.39 g/mol
LogP4.54
Rot. Bonds5

About [6-fluoro-8-[2-(2,2,2-trifluoroethoxy)phenyl]imidazo[1,2-a]pyridin-2-yl]-(oxan-4-yl)methanol

[6-fluoro-8-[2-(2,2,2-trifluoroethoxy)phenyl]imidazo[1,2-a]pyridin-2-yl]-(oxan-4-yl)methanol (PubChem CID 162763809) has the molecular formula C21H20F4N2O3 and a molecular weight of 424.39 g/mol. Its IUPAC name is [6-fluoro-8-[2-(2,2,2-trifluoroethoxy)phenyl]imidazo[1,2-a]pyridin-2-yl]-(oxan-4-yl)methanol.

Molecular Properties

Compound Name[6-fluoro-8-[2-(2,2,2-trifluoroethoxy)phenyl]imidazo[1,2-a]pyridin-2-yl]-(oxan-4-yl)methanol
PubChem CID162763809
Molecular FormulaC21H20F4N2O3
Molecular Weight424.39 g/mol
Exact Mass424.14
IUPAC Name[6-fluoro-8-[2-(2,2,2-trifluoroethoxy)phenyl]imidazo[1,2-a]pyridin-2-yl]-(oxan-4-yl)methanol
SMILESOC(c1cn2cc(F)cc(-c3ccccc3OCC(F)(F)F)c2n1)C1CCOCC1
InChIInChI=1S/C21H20F4N2O3/c22-14-9-16(15-3-1-2-4-18(15)30-12-21(23,24)25)20-26-17(11-27(20)10-14)19(28)13-5-7-29-8-6-13/h1-4,9-11,13,19,28H,5-8,12H2
InChIKeyYVLHQIXULJUNBX-UHFFFAOYSA-N
XLogP4.54
TPSA55.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.39
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [6-fluoro-8-[2-(2,2,2-trifluoroethoxy)phenyl]imidazo[1,2-a]pyridin-2-yl]-(oxan-4-yl)methanol?
The IUPAC name of [6-fluoro-8-[2-(2,2,2-trifluoroethoxy)phenyl]imidazo[1,2-a]pyridin-2-yl]-(oxan-4-yl)methanol (CID 162763809) is [6-fluoro-8-[2-(2,2,2-trifluoroethoxy)phenyl]imidazo[1,2-a]pyridin-2-yl]-(oxan-4-yl)methanol.
What is the SMILES notation for [6-fluoro-8-[2-(2,2,2-trifluoroethoxy)phenyl]imidazo[1,2-a]pyridin-2-yl]-(oxan-4-yl)methanol?
The canonical SMILES for [6-fluoro-8-[2-(2,2,2-trifluoroethoxy)phenyl]imidazo[1,2-a]pyridin-2-yl]-(oxan-4-yl)methanol is OC(c1cn2cc(F)cc(-c3ccccc3OCC(F)(F)F)c2n1)C1CCOCC1.
What is the InChIKey of [6-fluoro-8-[2-(2,2,2-trifluoroethoxy)phenyl]imidazo[1,2-a]pyridin-2-yl]-(oxan-4-yl)methanol?
The InChIKey is YVLHQIXULJUNBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20F4N2O3/c22-14-9-16(15-3-1-2-4-18(15)30-12-21(23,24)25)20-26-17(11-27(20)10-14)19(28)13-5-7-29-8-6-13/h1-4,9-11,13,19,28H,5-8,12H2.
What are the key properties of [6-fluoro-8-[2-(2,2,2-trifluoroethoxy)phenyl]imidazo[1,2-a]pyridin-2-yl]-(oxan-4-yl)methanol?
[6-fluoro-8-[2-(2,2,2-trifluoroethoxy)phenyl]imidazo[1,2-a]pyridin-2-yl]-(oxan-4-yl)methanol has a molecular weight of 424.39 g/mol, XLogP of 4.54, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [6-fluoro-8-[2-(2,2,2-trifluoroethoxy)phenyl]imidazo[1,2-a]pyridin-2-yl]-(oxan-4-yl)methanol is sourced from PubChem (CID 162763809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).