5,5,5-trifluoro-1-[3-[7-(4-hydroxy-3-methylbutanoyl)imidazo[1,2-a]pyridin-3-yl]phenyl]pentan-2-one

C23H23F3N2O3 — CID 58080742

IUPAC5,5,5-trifluoro-1-[3-[7-(4-hydroxy-3-methylbutanoyl)imidazo[1,2-a]pyridin-3-yl]phenyl]pentan-2-one
SMILESCC(CO)CC(=O)c1ccn2c(-c3cccc(CC(=O)CCC(F)(F)F)c3)cnc2c1
InChIInChI=1S/C23H23F3N2O3/c1-15(14-29)9-21(31)18-6-8-28-20(13-27-22(28)12-18)17-4-2-3-16(10-17)11-19(30)5-7-23(24,25)26/h2-4,6,8,10,12-13,15,29H,5,7,9,11,14H2,1H3
InChIKeyZXXLJVCFPJBBBL-UHFFFAOYSA-N
MW432.44 g/mol
LogP4.66
Rot. Bonds9

About 5,5,5-trifluoro-1-[3-[7-(4-hydroxy-3-methylbutanoyl)imidazo[1,2-a]pyridin-3-yl]phenyl]pentan-2-one

5,5,5-trifluoro-1-[3-[7-(4-hydroxy-3-methylbutanoyl)imidazo[1,2-a]pyridin-3-yl]phenyl]pentan-2-one (PubChem CID 58080742) has the molecular formula C23H23F3N2O3 and a molecular weight of 432.44 g/mol. Its IUPAC name is 5,5,5-trifluoro-1-[3-[7-(4-hydroxy-3-methylbutanoyl)imidazo[1,2-a]pyridin-3-yl]phenyl]pentan-2-one.

Molecular Properties

Compound Name5,5,5-trifluoro-1-[3-[7-(4-hydroxy-3-methylbutanoyl)imidazo[1,2-a]pyridin-3-yl]phenyl]pentan-2-one
PubChem CID58080742
Molecular FormulaC23H23F3N2O3
Molecular Weight432.44 g/mol
Exact Mass432.17
IUPAC Name5,5,5-trifluoro-1-[3-[7-(4-hydroxy-3-methylbutanoyl)imidazo[1,2-a]pyridin-3-yl]phenyl]pentan-2-one
SMILESCC(CO)CC(=O)c1ccn2c(-c3cccc(CC(=O)CCC(F)(F)F)c3)cnc2c1
InChIInChI=1S/C23H23F3N2O3/c1-15(14-29)9-21(31)18-6-8-28-20(13-27-22(28)12-18)17-4-2-3-16(10-17)11-19(30)5-7-23(24,25)26/h2-4,6,8,10,12-13,15,29H,5,7,9,11,14H2,1H3
InChIKeyZXXLJVCFPJBBBL-UHFFFAOYSA-N
XLogP4.66
TPSA71.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.44
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5,5,5-trifluoro-1-[3-[7-(4-hydroxy-3-methylbutanoyl)imidazo[1,2-a]pyridin-3-yl]phenyl]pentan-2-one?
The IUPAC name of 5,5,5-trifluoro-1-[3-[7-(4-hydroxy-3-methylbutanoyl)imidazo[1,2-a]pyridin-3-yl]phenyl]pentan-2-one (CID 58080742) is 5,5,5-trifluoro-1-[3-[7-(4-hydroxy-3-methylbutanoyl)imidazo[1,2-a]pyridin-3-yl]phenyl]pentan-2-one.
What is the SMILES notation for 5,5,5-trifluoro-1-[3-[7-(4-hydroxy-3-methylbutanoyl)imidazo[1,2-a]pyridin-3-yl]phenyl]pentan-2-one?
The canonical SMILES for 5,5,5-trifluoro-1-[3-[7-(4-hydroxy-3-methylbutanoyl)imidazo[1,2-a]pyridin-3-yl]phenyl]pentan-2-one is CC(CO)CC(=O)c1ccn2c(-c3cccc(CC(=O)CCC(F)(F)F)c3)cnc2c1.
What is the InChIKey of 5,5,5-trifluoro-1-[3-[7-(4-hydroxy-3-methylbutanoyl)imidazo[1,2-a]pyridin-3-yl]phenyl]pentan-2-one?
The InChIKey is ZXXLJVCFPJBBBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23F3N2O3/c1-15(14-29)9-21(31)18-6-8-28-20(13-27-22(28)12-18)17-4-2-3-16(10-17)11-19(30)5-7-23(24,25)26/h2-4,6,8,10,12-13,15,29H,5,7,9,11,14H2,1H3.
What are the key properties of 5,5,5-trifluoro-1-[3-[7-(4-hydroxy-3-methylbutanoyl)imidazo[1,2-a]pyridin-3-yl]phenyl]pentan-2-one?
5,5,5-trifluoro-1-[3-[7-(4-hydroxy-3-methylbutanoyl)imidazo[1,2-a]pyridin-3-yl]phenyl]pentan-2-one has a molecular weight of 432.44 g/mol, XLogP of 4.66, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5,5-trifluoro-1-[3-[7-(4-hydroxy-3-methylbutanoyl)imidazo[1,2-a]pyridin-3-yl]phenyl]pentan-2-one is sourced from PubChem (CID 58080742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).