5-[[2-(4-amino-1,2,5-oxadiazol-3-yl)-7-fluorobenzimidazol-1-yl]methyl]pyrazine-2-carbonitrile

C15H9FN8O — CID 164861646

IUPAC5-[[2-(4-amino-1,2,5-oxadiazol-3-yl)-7-fluorobenzimidazol-1-yl]methyl]pyrazine-2-carbonitrile
SMILESN#Cc1cnc(Cn2c(-c3nonc3N)nc3cccc(F)c32)cn1
InChIInChI=1S/C15H9FN8O/c16-10-2-1-3-11-13(10)24(7-9-6-19-8(4-17)5-20-9)15(21-11)12-14(18)23-25-22-12/h1-3,5-6H,7H2,(H2,18,23)
InChIKeyYYDOAXDERVWRNC-UHFFFAOYSA-N
MW336.29 g/mol
LogP1.52
Rot. Bonds3

About 5-[[2-(4-amino-1,2,5-oxadiazol-3-yl)-7-fluorobenzimidazol-1-yl]methyl]pyrazine-2-carbonitrile

5-[[2-(4-amino-1,2,5-oxadiazol-3-yl)-7-fluorobenzimidazol-1-yl]methyl]pyrazine-2-carbonitrile (PubChem CID 164861646) has the molecular formula C15H9FN8O and a molecular weight of 336.29 g/mol. Its IUPAC name is 5-[[2-(4-amino-1,2,5-oxadiazol-3-yl)-7-fluorobenzimidazol-1-yl]methyl]pyrazine-2-carbonitrile.

Molecular Properties

Compound Name5-[[2-(4-amino-1,2,5-oxadiazol-3-yl)-7-fluorobenzimidazol-1-yl]methyl]pyrazine-2-carbonitrile
PubChem CID164861646
Molecular FormulaC15H9FN8O
Molecular Weight336.29 g/mol
Exact Mass336.09
IUPAC Name5-[[2-(4-amino-1,2,5-oxadiazol-3-yl)-7-fluorobenzimidazol-1-yl]methyl]pyrazine-2-carbonitrile
SMILESN#Cc1cnc(Cn2c(-c3nonc3N)nc3cccc(F)c32)cn1
InChIInChI=1S/C15H9FN8O/c16-10-2-1-3-11-13(10)24(7-9-6-19-8(4-17)5-20-9)15(21-11)12-14(18)23-25-22-12/h1-3,5-6H,7H2,(H2,18,23)
InChIKeyYYDOAXDERVWRNC-UHFFFAOYSA-N
XLogP1.52
TPSA132.33 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.29
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

4-[7-fluoro-1-[(6-methoxypyridazin-3-yl)methyl]benzimidazol-2-yl]-1,2,5-oxadiazol-3-amine
CID 164861508
4-[7-fluoro-1-(pyridazin-3-ylmethyl)benzimidazol-2-yl]-1,2,5-thiadiazol-3-amine
CID 164861531
4-[5-(2,6-difluorophenyl)-1,2,4-oxadiazol-3-yl]-1,2,5-oxadiazol-3-amine
CID 686448
4-[4-fluoro-1-[(6-methylpyridazin-3-yl)methyl]benzimidazol-2-yl]-1,2,5-oxadiazol-3-amine
CID 164861595
4-[4-fluoro-1-(pyrimidin-5-ylmethyl)benzimidazol-2-yl]-1,2,5-oxadiazol-3-amine
CID 164861581
4-[3-[[6-(trifluoromethyl)-3-pyridinyl]methyl]imidazo[4,5-b]pyridin-2-yl]-1,2,5-oxadiazol-3-amine
CID 164861740
4-[3-(2-methylpropyl)imidazo[4,5-b]pyridin-2-yl]-1,2,5-oxadiazol-3-amine
CID 53216173
4-[6-fluoro-1-(pyridin-3-ylmethyl)benzimidazol-2-yl]-1,2,5-oxadiazol-3-amine
CID 164861697
3-[5,7-difluoro-1-(pyridazin-3-ylmethyl)benzimidazol-2-yl]-4-methyl-1,2,5-oxadiazole
CID 164861514
4-[7-[4-(aminomethyl)phenyl]-1-ethylimidazo[4,5-c]pyridin-2-yl]-1,2,5-oxadiazol-3-amine
CID 57399141
2-[2-(4-amino-1,2,5-oxadiazol-3-yl)-4,5-bis(4-methoxyphenyl)imidazol-1-yl]acetonitrile
CID 11531469
4-[1-ethyl-6-(3-methoxyphenyl)sulfanylimidazo[4,5-c]pyridin-2-yl]-1,2,5-oxadiazol-3-amine
CID 11462778

Frequently Asked Questions

What is the IUPAC name of 5-[[2-(4-amino-1,2,5-oxadiazol-3-yl)-7-fluorobenzimidazol-1-yl]methyl]pyrazine-2-carbonitrile?
The IUPAC name of 5-[[2-(4-amino-1,2,5-oxadiazol-3-yl)-7-fluorobenzimidazol-1-yl]methyl]pyrazine-2-carbonitrile (CID 164861646) is 5-[[2-(4-amino-1,2,5-oxadiazol-3-yl)-7-fluorobenzimidazol-1-yl]methyl]pyrazine-2-carbonitrile.
What is the SMILES notation for 5-[[2-(4-amino-1,2,5-oxadiazol-3-yl)-7-fluorobenzimidazol-1-yl]methyl]pyrazine-2-carbonitrile?
The canonical SMILES for 5-[[2-(4-amino-1,2,5-oxadiazol-3-yl)-7-fluorobenzimidazol-1-yl]methyl]pyrazine-2-carbonitrile is N#Cc1cnc(Cn2c(-c3nonc3N)nc3cccc(F)c32)cn1.
What is the InChIKey of 5-[[2-(4-amino-1,2,5-oxadiazol-3-yl)-7-fluorobenzimidazol-1-yl]methyl]pyrazine-2-carbonitrile?
The InChIKey is YYDOAXDERVWRNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9FN8O/c16-10-2-1-3-11-13(10)24(7-9-6-19-8(4-17)5-20-9)15(21-11)12-14(18)23-25-22-12/h1-3,5-6H,7H2,(H2,18,23).
What are the key properties of 5-[[2-(4-amino-1,2,5-oxadiazol-3-yl)-7-fluorobenzimidazol-1-yl]methyl]pyrazine-2-carbonitrile?
5-[[2-(4-amino-1,2,5-oxadiazol-3-yl)-7-fluorobenzimidazol-1-yl]methyl]pyrazine-2-carbonitrile has a molecular weight of 336.29 g/mol, XLogP of 1.52, 3 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[2-(4-amino-1,2,5-oxadiazol-3-yl)-7-fluorobenzimidazol-1-yl]methyl]pyrazine-2-carbonitrile is sourced from PubChem (CID 164861646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).