4-[2,6-difluoro-4-(imidazo[1,2-a]pyrimidin-7-yloxymethyl)phenoxy]-2-fluorobenzonitrile

C20H11F3N4O2 — CID 122695285

IUPAC4-[2,6-difluoro-4-(imidazo[1,2-a]pyrimidin-7-yloxymethyl)phenoxy]-2-fluorobenzonitrile
SMILESN#Cc1ccc(Oc2c(F)cc(COc3ccn4ccnc4n3)cc2F)cc1F
InChIInChI=1S/C20H11F3N4O2/c21-15-9-14(2-1-13(15)10-24)29-19-16(22)7-12(8-17(19)23)11-28-18-3-5-27-6-4-25-20(27)26-18/h1-9H,11H2
InChIKeySZNYPWPGTIEIER-UHFFFAOYSA-N
MW396.33 g/mol
LogP4.39
Rot. Bonds5

About 4-[2,6-difluoro-4-(imidazo[1,2-a]pyrimidin-7-yloxymethyl)phenoxy]-2-fluorobenzonitrile

4-[2,6-difluoro-4-(imidazo[1,2-a]pyrimidin-7-yloxymethyl)phenoxy]-2-fluorobenzonitrile (PubChem CID 122695285) has the molecular formula C20H11F3N4O2 and a molecular weight of 396.33 g/mol. Its IUPAC name is 4-[2,6-difluoro-4-(imidazo[1,2-a]pyrimidin-7-yloxymethyl)phenoxy]-2-fluorobenzonitrile.

Molecular Properties

Compound Name4-[2,6-difluoro-4-(imidazo[1,2-a]pyrimidin-7-yloxymethyl)phenoxy]-2-fluorobenzonitrile
PubChem CID122695285
Molecular FormulaC20H11F3N4O2
Molecular Weight396.33 g/mol
Exact Mass396.08
IUPAC Name4-[2,6-difluoro-4-(imidazo[1,2-a]pyrimidin-7-yloxymethyl)phenoxy]-2-fluorobenzonitrile
SMILESN#Cc1ccc(Oc2c(F)cc(COc3ccn4ccnc4n3)cc2F)cc1F
InChIInChI=1S/C20H11F3N4O2/c21-15-9-14(2-1-13(15)10-24)29-19-16(22)7-12(8-17(19)23)11-28-18-3-5-27-6-4-25-20(27)26-18/h1-9H,11H2
InChIKeySZNYPWPGTIEIER-UHFFFAOYSA-N
XLogP4.39
TPSA72.44 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.33
LogP ≤ 54.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

7-[[4-(3,4-dichlorophenoxy)-3,5-difluorophenyl]methoxy]imidazo[1,2-a]pyrimidine
CID 122695290
4-[4-(bromomethyl)-2,6-difluorophenoxy]-2-fluorobenzonitrile
CID 107088864
7-[[3,5-difluoro-4-[4-methyl-3-(trifluoromethyl)phenoxy]phenyl]methoxy]-3-pyrimidin-5-yl-[1,2,4]triazolo[4,3-a]pyrimidine
CID 145184578
2-(4-cyano-3-fluorophenoxy)-5-[(1-methyl-5-oxo-2,3-dihydroimidazo[1,2-c]pyrimidin-7-yl)oxymethyl]benzonitrile
CID 71495314
4-(6-ethyl-2-pyridin-2-ylpyrimidin-4-yl)oxy-2-fluorobenzonitrile
CID 133295415
2-fluoro-4-[2-(propylamino)pyrimidin-4-yl]oxybenzonitrile
CID 80883299
2-fluoro-4-[2-methyl-6-(methylamino)pyrimidin-4-yl]oxybenzonitrile
CID 80883406
4-(6-chloro-2-ethylpyrimidin-4-yl)oxy-2-fluorobenzonitrile
CID 80944458
3-fluoro-5-[(1-methyl-5-oxo-2,3-dihydroimidazo[1,2-c]pyrimidin-7-yl)oxymethyl]-2-[(6-methyl-3-pyridinyl)oxy]benzonitrile
CID 118685759
3-fluoro-5-[[(2S)-2-methyl-5-oxo-2,3-dihydro-1H-imidazo[1,2-c]pyrimidin-7-yl]oxymethyl]-2-[(2-methyl-4-pyridinyl)oxy]benzonitrile
CID 118679562
3-fluoro-2-[(2-methyl-4-pyridinyl)oxy]-5-[(1,2,2-trimethyl-5-oxo-3H-imidazo[1,2-c]pyrimidin-7-yl)oxymethyl]benzonitrile
CID 118679552
4-[[4-(4-chloro-3-methylphenoxy)-3,5-difluorophenyl]methoxy]-1-ethyl-6-methylpyrimidin-2-one
CID 134166720

Frequently Asked Questions

What is the IUPAC name of 4-[2,6-difluoro-4-(imidazo[1,2-a]pyrimidin-7-yloxymethyl)phenoxy]-2-fluorobenzonitrile?
The IUPAC name of 4-[2,6-difluoro-4-(imidazo[1,2-a]pyrimidin-7-yloxymethyl)phenoxy]-2-fluorobenzonitrile (CID 122695285) is 4-[2,6-difluoro-4-(imidazo[1,2-a]pyrimidin-7-yloxymethyl)phenoxy]-2-fluorobenzonitrile.
What is the SMILES notation for 4-[2,6-difluoro-4-(imidazo[1,2-a]pyrimidin-7-yloxymethyl)phenoxy]-2-fluorobenzonitrile?
The canonical SMILES for 4-[2,6-difluoro-4-(imidazo[1,2-a]pyrimidin-7-yloxymethyl)phenoxy]-2-fluorobenzonitrile is N#Cc1ccc(Oc2c(F)cc(COc3ccn4ccnc4n3)cc2F)cc1F.
What is the InChIKey of 4-[2,6-difluoro-4-(imidazo[1,2-a]pyrimidin-7-yloxymethyl)phenoxy]-2-fluorobenzonitrile?
The InChIKey is SZNYPWPGTIEIER-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H11F3N4O2/c21-15-9-14(2-1-13(15)10-24)29-19-16(22)7-12(8-17(19)23)11-28-18-3-5-27-6-4-25-20(27)26-18/h1-9H,11H2.
What are the key properties of 4-[2,6-difluoro-4-(imidazo[1,2-a]pyrimidin-7-yloxymethyl)phenoxy]-2-fluorobenzonitrile?
4-[2,6-difluoro-4-(imidazo[1,2-a]pyrimidin-7-yloxymethyl)phenoxy]-2-fluorobenzonitrile has a molecular weight of 396.33 g/mol, XLogP of 4.39, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2,6-difluoro-4-(imidazo[1,2-a]pyrimidin-7-yloxymethyl)phenoxy]-2-fluorobenzonitrile is sourced from PubChem (CID 122695285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).