[5-fluoro-2-[2-(pyridin-2-yloxymethyl)imidazo[1,2-a]pyrimidin-6-yl]phenyl]methyl acetate

C21H17FN4O3 — CID 122506546

IUPAC[5-fluoro-2-[2-(pyridin-2-yloxymethyl)imidazo[1,2-a]pyrimidin-6-yl]phenyl]methyl acetate
SMILESCC(=O)OCc1cc(F)ccc1-c1cnc2nc(COc3ccccn3)cn2c1
InChIInChI=1S/C21H17FN4O3/c1-14(27)28-12-15-8-17(22)5-6-19(15)16-9-24-21-25-18(11-26(21)10-16)13-29-20-4-2-3-7-23-20/h2-11H,12-13H2,1H3
InChIKeySNUBPOOVNJVMNR-UHFFFAOYSA-N
MW392.39 g/mol
LogP3.57
Rot. Bonds6

About [5-fluoro-2-[2-(pyridin-2-yloxymethyl)imidazo[1,2-a]pyrimidin-6-yl]phenyl]methyl acetate

[5-fluoro-2-[2-(pyridin-2-yloxymethyl)imidazo[1,2-a]pyrimidin-6-yl]phenyl]methyl acetate (PubChem CID 122506546) has the molecular formula C21H17FN4O3 and a molecular weight of 392.39 g/mol. Its IUPAC name is [5-fluoro-2-[2-(pyridin-2-yloxymethyl)imidazo[1,2-a]pyrimidin-6-yl]phenyl]methyl acetate.

Molecular Properties

Compound Name[5-fluoro-2-[2-(pyridin-2-yloxymethyl)imidazo[1,2-a]pyrimidin-6-yl]phenyl]methyl acetate
PubChem CID122506546
Molecular FormulaC21H17FN4O3
Molecular Weight392.39 g/mol
Exact Mass392.13
IUPAC Name[5-fluoro-2-[2-(pyridin-2-yloxymethyl)imidazo[1,2-a]pyrimidin-6-yl]phenyl]methyl acetate
SMILESCC(=O)OCc1cc(F)ccc1-c1cnc2nc(COc3ccccn3)cn2c1
InChIInChI=1S/C21H17FN4O3/c1-14(27)28-12-15-8-17(22)5-6-19(15)16-9-24-21-25-18(11-26(21)10-16)13-29-20-4-2-3-7-23-20/h2-11H,12-13H2,1H3
InChIKeySNUBPOOVNJVMNR-UHFFFAOYSA-N
XLogP3.57
TPSA78.61 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.39
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [5-fluoro-2-[2-(pyridin-2-yloxymethyl)imidazo[1,2-a]pyrimidin-6-yl]phenyl]methyl acetate?
The IUPAC name of [5-fluoro-2-[2-(pyridin-2-yloxymethyl)imidazo[1,2-a]pyrimidin-6-yl]phenyl]methyl acetate (CID 122506546) is [5-fluoro-2-[2-(pyridin-2-yloxymethyl)imidazo[1,2-a]pyrimidin-6-yl]phenyl]methyl acetate.
What is the SMILES notation for [5-fluoro-2-[2-(pyridin-2-yloxymethyl)imidazo[1,2-a]pyrimidin-6-yl]phenyl]methyl acetate?
The canonical SMILES for [5-fluoro-2-[2-(pyridin-2-yloxymethyl)imidazo[1,2-a]pyrimidin-6-yl]phenyl]methyl acetate is CC(=O)OCc1cc(F)ccc1-c1cnc2nc(COc3ccccn3)cn2c1.
What is the InChIKey of [5-fluoro-2-[2-(pyridin-2-yloxymethyl)imidazo[1,2-a]pyrimidin-6-yl]phenyl]methyl acetate?
The InChIKey is SNUBPOOVNJVMNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17FN4O3/c1-14(27)28-12-15-8-17(22)5-6-19(15)16-9-24-21-25-18(11-26(21)10-16)13-29-20-4-2-3-7-23-20/h2-11H,12-13H2,1H3.
What are the key properties of [5-fluoro-2-[2-(pyridin-2-yloxymethyl)imidazo[1,2-a]pyrimidin-6-yl]phenyl]methyl acetate?
[5-fluoro-2-[2-(pyridin-2-yloxymethyl)imidazo[1,2-a]pyrimidin-6-yl]phenyl]methyl acetate has a molecular weight of 392.39 g/mol, XLogP of 3.57, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [5-fluoro-2-[2-(pyridin-2-yloxymethyl)imidazo[1,2-a]pyrimidin-6-yl]phenyl]methyl acetate is sourced from PubChem (CID 122506546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).