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

C23H19F3N4O2 — CID 153218493

IUPAC5,5,5-trifluoro-1-[3-[7-(5-methoxypyrimidin-2-yl)imidazo[1,2-a]pyridin-3-yl]phenyl]pentan-2-one
SMILESCOc1cnc(-c2ccn3c(-c4cccc(CC(=O)CCC(F)(F)F)c4)cnc3c2)nc1
InChIInChI=1S/C23H19F3N4O2/c1-32-19-12-28-22(29-13-19)17-6-8-30-20(14-27-21(30)11-17)16-4-2-3-15(9-16)10-18(31)5-7-23(24,25)26/h2-4,6,8-9,11-14H,5,7,10H2,1H3
InChIKeyWNEKDTHFNXFXMS-UHFFFAOYSA-N
MW440.43 g/mol
LogP4.92
Rot. Bonds7

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

5,5,5-trifluoro-1-[3-[7-(5-methoxypyrimidin-2-yl)imidazo[1,2-a]pyridin-3-yl]phenyl]pentan-2-one (PubChem CID 153218493) has the molecular formula C23H19F3N4O2 and a molecular weight of 440.43 g/mol. Its IUPAC name is 5,5,5-trifluoro-1-[3-[7-(5-methoxypyrimidin-2-yl)imidazo[1,2-a]pyridin-3-yl]phenyl]pentan-2-one.

Molecular Properties

Compound Name5,5,5-trifluoro-1-[3-[7-(5-methoxypyrimidin-2-yl)imidazo[1,2-a]pyridin-3-yl]phenyl]pentan-2-one
PubChem CID153218493
Molecular FormulaC23H19F3N4O2
Molecular Weight440.43 g/mol
Exact Mass440.15
IUPAC Name5,5,5-trifluoro-1-[3-[7-(5-methoxypyrimidin-2-yl)imidazo[1,2-a]pyridin-3-yl]phenyl]pentan-2-one
SMILESCOc1cnc(-c2ccn3c(-c4cccc(CC(=O)CCC(F)(F)F)c4)cnc3c2)nc1
InChIInChI=1S/C23H19F3N4O2/c1-32-19-12-28-22(29-13-19)17-6-8-30-20(14-27-21(30)11-17)16-4-2-3-15(9-16)10-18(31)5-7-23(24,25)26/h2-4,6,8-9,11-14H,5,7,10H2,1H3
InChIKeyWNEKDTHFNXFXMS-UHFFFAOYSA-N
XLogP4.92
TPSA69.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.43
LogP ≤ 54.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5,5,5-trifluoro-1-[3-[7-(5-methoxypyrimidin-2-yl)imidazo[1,2-a]pyridin-3-yl]phenyl]pentan-2-one?
The IUPAC name of 5,5,5-trifluoro-1-[3-[7-(5-methoxypyrimidin-2-yl)imidazo[1,2-a]pyridin-3-yl]phenyl]pentan-2-one (CID 153218493) is 5,5,5-trifluoro-1-[3-[7-(5-methoxypyrimidin-2-yl)imidazo[1,2-a]pyridin-3-yl]phenyl]pentan-2-one.
What is the SMILES notation for 5,5,5-trifluoro-1-[3-[7-(5-methoxypyrimidin-2-yl)imidazo[1,2-a]pyridin-3-yl]phenyl]pentan-2-one?
The canonical SMILES for 5,5,5-trifluoro-1-[3-[7-(5-methoxypyrimidin-2-yl)imidazo[1,2-a]pyridin-3-yl]phenyl]pentan-2-one is COc1cnc(-c2ccn3c(-c4cccc(CC(=O)CCC(F)(F)F)c4)cnc3c2)nc1.
What is the InChIKey of 5,5,5-trifluoro-1-[3-[7-(5-methoxypyrimidin-2-yl)imidazo[1,2-a]pyridin-3-yl]phenyl]pentan-2-one?
The InChIKey is WNEKDTHFNXFXMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19F3N4O2/c1-32-19-12-28-22(29-13-19)17-6-8-30-20(14-27-21(30)11-17)16-4-2-3-15(9-16)10-18(31)5-7-23(24,25)26/h2-4,6,8-9,11-14H,5,7,10H2,1H3.
What are the key properties of 5,5,5-trifluoro-1-[3-[7-(5-methoxypyrimidin-2-yl)imidazo[1,2-a]pyridin-3-yl]phenyl]pentan-2-one?
5,5,5-trifluoro-1-[3-[7-(5-methoxypyrimidin-2-yl)imidazo[1,2-a]pyridin-3-yl]phenyl]pentan-2-one has a molecular weight of 440.43 g/mol, XLogP of 4.92, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5,5-trifluoro-1-[3-[7-(5-methoxypyrimidin-2-yl)imidazo[1,2-a]pyridin-3-yl]phenyl]pentan-2-one is sourced from PubChem (CID 153218493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).