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

C40H32F2N8O5 — CID 130356448

IUPAC[5-fluoro-2-[2-(pyridin-2-yloxymethyl)imidazo[1,2-a]pyrimidin-6-yl]phenyl]methanol;[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.OCc1cc(F)ccc1-c1cnc2nc(COc3ccccn3)cn2c1
InChIInChI=1S/C21H17FN4O3.C19H15FN4O2/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;20-15-4-5-17(13(7-15)11-25)14-8-22-19-23-16(10-24(19)9-14)12-26-18-3-1-2-6-21-18/h2-11H,12-13H2,1H3;1-10,25H,11-12H2
InChIKeyYRYBWQICMZAKHL-UHFFFAOYSA-N
MW742.74 g/mol
LogP6.57
Rot. Bonds11

About [5-fluoro-2-[2-(pyridin-2-yloxymethyl)imidazo[1,2-a]pyrimidin-6-yl]phenyl]methanol;[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]methanol;[5-fluoro-2-[2-(pyridin-2-yloxymethyl)imidazo[1,2-a]pyrimidin-6-yl]phenyl]methyl acetate (PubChem CID 130356448) has the molecular formula C40H32F2N8O5 and a molecular weight of 742.74 g/mol. Its IUPAC name is [5-fluoro-2-[2-(pyridin-2-yloxymethyl)imidazo[1,2-a]pyrimidin-6-yl]phenyl]methanol;[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]methanol;[5-fluoro-2-[2-(pyridin-2-yloxymethyl)imidazo[1,2-a]pyrimidin-6-yl]phenyl]methyl acetate
PubChem CID130356448
Molecular FormulaC40H32F2N8O5
Molecular Weight742.74 g/mol
Exact Mass742.25
IUPAC Name[5-fluoro-2-[2-(pyridin-2-yloxymethyl)imidazo[1,2-a]pyrimidin-6-yl]phenyl]methanol;[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.OCc1cc(F)ccc1-c1cnc2nc(COc3ccccn3)cn2c1
InChIInChI=1S/C21H17FN4O3.C19H15FN4O2/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;20-15-4-5-17(13(7-15)11-25)14-8-22-19-23-16(10-24(19)9-14)12-26-18-3-1-2-6-21-18/h2-11H,12-13H2,1H3;1-10,25H,11-12H2
InChIKeyYRYBWQICMZAKHL-UHFFFAOYSA-N
XLogP6.57
TPSA151.15 Ų
H-Bond Donors1
H-Bond Acceptors13
Rotatable Bonds11
Heavy Atoms55
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500742.74
LogP ≤ 56.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1013

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [5-fluoro-2-[2-(pyridin-2-yloxymethyl)imidazo[1,2-a]pyrimidin-6-yl]phenyl]methanol;[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]methanol;[5-fluoro-2-[2-(pyridin-2-yloxymethyl)imidazo[1,2-a]pyrimidin-6-yl]phenyl]methyl acetate (CID 130356448) is [5-fluoro-2-[2-(pyridin-2-yloxymethyl)imidazo[1,2-a]pyrimidin-6-yl]phenyl]methanol;[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]methanol;[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]methanol;[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.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]methanol;[5-fluoro-2-[2-(pyridin-2-yloxymethyl)imidazo[1,2-a]pyrimidin-6-yl]phenyl]methyl acetate?
The InChIKey is YRYBWQICMZAKHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17FN4O3.C19H15FN4O2/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;20-15-4-5-17(13(7-15)11-25)14-8-22-19-23-16(10-24(19)9-14)12-26-18-3-1-2-6-21-18/h2-11H,12-13H2,1H3;1-10,25H,11-12H2.
What are the key properties of [5-fluoro-2-[2-(pyridin-2-yloxymethyl)imidazo[1,2-a]pyrimidin-6-yl]phenyl]methanol;[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]methanol;[5-fluoro-2-[2-(pyridin-2-yloxymethyl)imidazo[1,2-a]pyrimidin-6-yl]phenyl]methyl acetate has a molecular weight of 742.74 g/mol, XLogP of 6.57, 11 rotatable bonds, 1 hydrogen bond donors, and 13 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]methanol;[5-fluoro-2-[2-(pyridin-2-yloxymethyl)imidazo[1,2-a]pyrimidin-6-yl]phenyl]methyl acetate is sourced from PubChem (CID 130356448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).