1-[4-[2-[8-(trifluoromethyl)-6-[4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]ethynyl]phenyl]ethanol

C25H16F6N2O — CID 16735753

IUPAC1-[4-[2-[8-(trifluoromethyl)-6-[4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]ethynyl]phenyl]ethanol
SMILESCC(O)c1ccc(C#Cc2cnc3c(C(F)(F)F)cc(-c4ccc(C(F)(F)F)cc4)cn23)cc1
InChIInChI=1S/C25H16F6N2O/c1-15(34)17-5-2-16(3-6-17)4-11-21-13-32-23-22(25(29,30)31)12-19(14-33(21)23)18-7-9-20(10-8-18)24(26,27)28/h2-3,5-10,12-15,34H,1H3
InChIKeyFDAWNEXKPGRVKJ-UHFFFAOYSA-N
MW474.40 g/mol
LogP6.49
Rot. Bonds2

About 1-[4-[2-[8-(trifluoromethyl)-6-[4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]ethynyl]phenyl]ethanol

1-[4-[2-[8-(trifluoromethyl)-6-[4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]ethynyl]phenyl]ethanol (PubChem CID 16735753) has the molecular formula C25H16F6N2O and a molecular weight of 474.40 g/mol. Its IUPAC name is 1-[4-[2-[8-(trifluoromethyl)-6-[4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]ethynyl]phenyl]ethanol.

Molecular Properties

Compound Name1-[4-[2-[8-(trifluoromethyl)-6-[4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]ethynyl]phenyl]ethanol
PubChem CID16735753
Molecular FormulaC25H16F6N2O
Molecular Weight474.40 g/mol
Exact Mass474.12
IUPAC Name1-[4-[2-[8-(trifluoromethyl)-6-[4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]ethynyl]phenyl]ethanol
SMILESCC(O)c1ccc(C#Cc2cnc3c(C(F)(F)F)cc(-c4ccc(C(F)(F)F)cc4)cn23)cc1
InChIInChI=1S/C25H16F6N2O/c1-15(34)17-5-2-16(3-6-17)4-11-21-13-32-23-22(25(29,30)31)12-19(14-33(21)23)18-7-9-20(10-8-18)24(26,27)28/h2-3,5-10,12-15,34H,1H3
InChIKeyFDAWNEXKPGRVKJ-UHFFFAOYSA-N
XLogP6.49
TPSA37.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500474.40
LogP ≤ 56.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[2-[8-(trifluoromethyl)-6-[4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]ethynyl]phenyl]ethanol?
The IUPAC name of 1-[4-[2-[8-(trifluoromethyl)-6-[4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]ethynyl]phenyl]ethanol (CID 16735753) is 1-[4-[2-[8-(trifluoromethyl)-6-[4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]ethynyl]phenyl]ethanol.
What is the SMILES notation for 1-[4-[2-[8-(trifluoromethyl)-6-[4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]ethynyl]phenyl]ethanol?
The canonical SMILES for 1-[4-[2-[8-(trifluoromethyl)-6-[4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]ethynyl]phenyl]ethanol is CC(O)c1ccc(C#Cc2cnc3c(C(F)(F)F)cc(-c4ccc(C(F)(F)F)cc4)cn23)cc1.
What is the InChIKey of 1-[4-[2-[8-(trifluoromethyl)-6-[4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]ethynyl]phenyl]ethanol?
The InChIKey is FDAWNEXKPGRVKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H16F6N2O/c1-15(34)17-5-2-16(3-6-17)4-11-21-13-32-23-22(25(29,30)31)12-19(14-33(21)23)18-7-9-20(10-8-18)24(26,27)28/h2-3,5-10,12-15,34H,1H3.
What are the key properties of 1-[4-[2-[8-(trifluoromethyl)-6-[4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]ethynyl]phenyl]ethanol?
1-[4-[2-[8-(trifluoromethyl)-6-[4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]ethynyl]phenyl]ethanol has a molecular weight of 474.40 g/mol, XLogP of 6.49, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[2-[8-(trifluoromethyl)-6-[4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]ethynyl]phenyl]ethanol is sourced from PubChem (CID 16735753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).