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

C20H16FN5O3 — CID 122506698

IUPAC[5-fluoro-2-[2-(pyridin-2-yloxymethyl)imidazo[1,2-a]pyrimidin-6-yl]phenyl]methyl carbamate
SMILESNC(=O)OCc1cc(F)ccc1-c1cnc2nc(COc3ccccn3)cn2c1
InChIInChI=1S/C20H16FN5O3/c21-15-4-5-17(13(7-15)11-29-19(22)27)14-8-24-20-25-16(10-26(20)9-14)12-28-18-3-1-2-6-23-18/h1-10H,11-12H2,(H2,22,27)
InChIKeyNYARASWXCGDOSY-UHFFFAOYSA-N
MW393.38 g/mol
LogP3.10
Rot. Bonds6

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

[5-fluoro-2-[2-(pyridin-2-yloxymethyl)imidazo[1,2-a]pyrimidin-6-yl]phenyl]methyl carbamate (PubChem CID 122506698) has the molecular formula C20H16FN5O3 and a molecular weight of 393.38 g/mol. Its IUPAC name is [5-fluoro-2-[2-(pyridin-2-yloxymethyl)imidazo[1,2-a]pyrimidin-6-yl]phenyl]methyl carbamate.

Molecular Properties

Compound Name[5-fluoro-2-[2-(pyridin-2-yloxymethyl)imidazo[1,2-a]pyrimidin-6-yl]phenyl]methyl carbamate
PubChem CID122506698
Molecular FormulaC20H16FN5O3
Molecular Weight393.38 g/mol
Exact Mass393.12
IUPAC Name[5-fluoro-2-[2-(pyridin-2-yloxymethyl)imidazo[1,2-a]pyrimidin-6-yl]phenyl]methyl carbamate
SMILESNC(=O)OCc1cc(F)ccc1-c1cnc2nc(COc3ccccn3)cn2c1
InChIInChI=1S/C20H16FN5O3/c21-15-4-5-17(13(7-15)11-29-19(22)27)14-8-24-20-25-16(10-26(20)9-14)12-28-18-3-1-2-6-23-18/h1-10H,11-12H2,(H2,22,27)
InChIKeyNYARASWXCGDOSY-UHFFFAOYSA-N
XLogP3.10
TPSA104.63 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.38
LogP ≤ 53.10
H-Bond Donors ≤ 51
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 carbamate?
The IUPAC name of [5-fluoro-2-[2-(pyridin-2-yloxymethyl)imidazo[1,2-a]pyrimidin-6-yl]phenyl]methyl carbamate (CID 122506698) is [5-fluoro-2-[2-(pyridin-2-yloxymethyl)imidazo[1,2-a]pyrimidin-6-yl]phenyl]methyl carbamate.
What is the SMILES notation for [5-fluoro-2-[2-(pyridin-2-yloxymethyl)imidazo[1,2-a]pyrimidin-6-yl]phenyl]methyl carbamate?
The canonical SMILES for [5-fluoro-2-[2-(pyridin-2-yloxymethyl)imidazo[1,2-a]pyrimidin-6-yl]phenyl]methyl carbamate is NC(=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 carbamate?
The InChIKey is NYARASWXCGDOSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16FN5O3/c21-15-4-5-17(13(7-15)11-29-19(22)27)14-8-24-20-25-16(10-26(20)9-14)12-28-18-3-1-2-6-23-18/h1-10H,11-12H2,(H2,22,27).
What are the key properties of [5-fluoro-2-[2-(pyridin-2-yloxymethyl)imidazo[1,2-a]pyrimidin-6-yl]phenyl]methyl carbamate?
[5-fluoro-2-[2-(pyridin-2-yloxymethyl)imidazo[1,2-a]pyrimidin-6-yl]phenyl]methyl carbamate has a molecular weight of 393.38 g/mol, XLogP of 3.10, 6 rotatable bonds, 1 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 carbamate is sourced from PubChem (CID 122506698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).