5-fluoro-2-[2-(pyridin-3-yloxymethyl)imidazo[1,2-a]pyrimidin-6-yl]phenol

C18H13FN4O2 — CID 122506618

IUPAC5-fluoro-2-[2-(pyridin-3-yloxymethyl)imidazo[1,2-a]pyrimidin-6-yl]phenol
SMILESOc1cc(F)ccc1-c1cnc2nc(COc3cccnc3)cn2c1
InChIInChI=1S/C18H13FN4O2/c19-13-3-4-16(17(24)6-13)12-7-21-18-22-14(10-23(18)9-12)11-25-15-2-1-5-20-8-15/h1-10,24H,11H2
InChIKeyCFHNCFUYBAHRKZ-UHFFFAOYSA-N
MW336.33 g/mol
LogP3.21
Rot. Bonds4

About 5-fluoro-2-[2-(pyridin-3-yloxymethyl)imidazo[1,2-a]pyrimidin-6-yl]phenol

5-fluoro-2-[2-(pyridin-3-yloxymethyl)imidazo[1,2-a]pyrimidin-6-yl]phenol (PubChem CID 122506618) has the molecular formula C18H13FN4O2 and a molecular weight of 336.33 g/mol. Its IUPAC name is 5-fluoro-2-[2-(pyridin-3-yloxymethyl)imidazo[1,2-a]pyrimidin-6-yl]phenol.

Molecular Properties

Compound Name5-fluoro-2-[2-(pyridin-3-yloxymethyl)imidazo[1,2-a]pyrimidin-6-yl]phenol
PubChem CID122506618
Molecular FormulaC18H13FN4O2
Molecular Weight336.33 g/mol
Exact Mass336.10
IUPAC Name5-fluoro-2-[2-(pyridin-3-yloxymethyl)imidazo[1,2-a]pyrimidin-6-yl]phenol
SMILESOc1cc(F)ccc1-c1cnc2nc(COc3cccnc3)cn2c1
InChIInChI=1S/C18H13FN4O2/c19-13-3-4-16(17(24)6-13)12-7-21-18-22-14(10-23(18)9-12)11-25-15-2-1-5-20-8-15/h1-10,24H,11H2
InChIKeyCFHNCFUYBAHRKZ-UHFFFAOYSA-N
XLogP3.21
TPSA72.54 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.33
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-[2-(pyridin-3-yloxymethyl)imidazo[1,2-a]pyrimidin-6-yl]phenol?
The IUPAC name of 5-fluoro-2-[2-(pyridin-3-yloxymethyl)imidazo[1,2-a]pyrimidin-6-yl]phenol (CID 122506618) is 5-fluoro-2-[2-(pyridin-3-yloxymethyl)imidazo[1,2-a]pyrimidin-6-yl]phenol.
What is the SMILES notation for 5-fluoro-2-[2-(pyridin-3-yloxymethyl)imidazo[1,2-a]pyrimidin-6-yl]phenol?
The canonical SMILES for 5-fluoro-2-[2-(pyridin-3-yloxymethyl)imidazo[1,2-a]pyrimidin-6-yl]phenol is Oc1cc(F)ccc1-c1cnc2nc(COc3cccnc3)cn2c1.
What is the InChIKey of 5-fluoro-2-[2-(pyridin-3-yloxymethyl)imidazo[1,2-a]pyrimidin-6-yl]phenol?
The InChIKey is CFHNCFUYBAHRKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13FN4O2/c19-13-3-4-16(17(24)6-13)12-7-21-18-22-14(10-23(18)9-12)11-25-15-2-1-5-20-8-15/h1-10,24H,11H2.
What are the key properties of 5-fluoro-2-[2-(pyridin-3-yloxymethyl)imidazo[1,2-a]pyrimidin-6-yl]phenol?
5-fluoro-2-[2-(pyridin-3-yloxymethyl)imidazo[1,2-a]pyrimidin-6-yl]phenol has a molecular weight of 336.33 g/mol, XLogP of 3.21, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-[2-(pyridin-3-yloxymethyl)imidazo[1,2-a]pyrimidin-6-yl]phenol is sourced from PubChem (CID 122506618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).