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

C27H17F3N4 — CID 134559825

IUPAC6-phenyl-2-[3-[3-(trifluoromethyl)imidazo[1,2-a]pyridin-6-yl]phenyl]imidazo[1,2-a]pyridine
SMILESFC(F)(F)c1cnc2ccc(-c3cccc(-c4cn5cc(-c6ccccc6)ccc5n4)c3)cn12
InChIInChI=1S/C27H17F3N4/c28-27(29,30)24-14-31-25-11-9-22(16-34(24)25)19-7-4-8-20(13-19)23-17-33-15-21(10-12-26(33)32-23)18-5-2-1-3-6-18/h1-17H
InChIKeyYCYYTBGWPJRHDO-UHFFFAOYSA-N
MW454.46 g/mol
LogP7.00
Rot. Bonds3

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

6-phenyl-2-[3-[3-(trifluoromethyl)imidazo[1,2-a]pyridin-6-yl]phenyl]imidazo[1,2-a]pyridine (PubChem CID 134559825) has the molecular formula C27H17F3N4 and a molecular weight of 454.46 g/mol. Its IUPAC name is 6-phenyl-2-[3-[3-(trifluoromethyl)imidazo[1,2-a]pyridin-6-yl]phenyl]imidazo[1,2-a]pyridine.

Molecular Properties

Compound Name6-phenyl-2-[3-[3-(trifluoromethyl)imidazo[1,2-a]pyridin-6-yl]phenyl]imidazo[1,2-a]pyridine
PubChem CID134559825
Molecular FormulaC27H17F3N4
Molecular Weight454.46 g/mol
Exact Mass454.14
IUPAC Name6-phenyl-2-[3-[3-(trifluoromethyl)imidazo[1,2-a]pyridin-6-yl]phenyl]imidazo[1,2-a]pyridine
SMILESFC(F)(F)c1cnc2ccc(-c3cccc(-c4cn5cc(-c6ccccc6)ccc5n4)c3)cn12
InChIInChI=1S/C27H17F3N4/c28-27(29,30)24-14-31-25-11-9-22(16-34(24)25)19-7-4-8-20(13-19)23-17-33-15-21(10-12-26(33)32-23)18-5-2-1-3-6-18/h1-17H
InChIKeyYCYYTBGWPJRHDO-UHFFFAOYSA-N
XLogP7.00
TPSA34.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500454.46
LogP ≤ 57.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-phenyl-2-[3-[3-(trifluoromethyl)imidazo[1,2-a]pyridin-6-yl]phenyl]imidazo[1,2-a]pyridine?
The IUPAC name of 6-phenyl-2-[3-[3-(trifluoromethyl)imidazo[1,2-a]pyridin-6-yl]phenyl]imidazo[1,2-a]pyridine (CID 134559825) is 6-phenyl-2-[3-[3-(trifluoromethyl)imidazo[1,2-a]pyridin-6-yl]phenyl]imidazo[1,2-a]pyridine.
What is the SMILES notation for 6-phenyl-2-[3-[3-(trifluoromethyl)imidazo[1,2-a]pyridin-6-yl]phenyl]imidazo[1,2-a]pyridine?
The canonical SMILES for 6-phenyl-2-[3-[3-(trifluoromethyl)imidazo[1,2-a]pyridin-6-yl]phenyl]imidazo[1,2-a]pyridine is FC(F)(F)c1cnc2ccc(-c3cccc(-c4cn5cc(-c6ccccc6)ccc5n4)c3)cn12.
What is the InChIKey of 6-phenyl-2-[3-[3-(trifluoromethyl)imidazo[1,2-a]pyridin-6-yl]phenyl]imidazo[1,2-a]pyridine?
The InChIKey is YCYYTBGWPJRHDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H17F3N4/c28-27(29,30)24-14-31-25-11-9-22(16-34(24)25)19-7-4-8-20(13-19)23-17-33-15-21(10-12-26(33)32-23)18-5-2-1-3-6-18/h1-17H.
What are the key properties of 6-phenyl-2-[3-[3-(trifluoromethyl)imidazo[1,2-a]pyridin-6-yl]phenyl]imidazo[1,2-a]pyridine?
6-phenyl-2-[3-[3-(trifluoromethyl)imidazo[1,2-a]pyridin-6-yl]phenyl]imidazo[1,2-a]pyridine has a molecular weight of 454.46 g/mol, XLogP of 7.00, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-phenyl-2-[3-[3-(trifluoromethyl)imidazo[1,2-a]pyridin-6-yl]phenyl]imidazo[1,2-a]pyridine is sourced from PubChem (CID 134559825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).