2-[5-[[4-(3-fluoro-2-pyridinyl)piperazin-1-yl]methyl]furan-2-yl]benzonitrile

C21H19FN4O — CID 50979162

IUPAC2-[5-[[4-(3-fluoro-2-pyridinyl)piperazin-1-yl]methyl]furan-2-yl]benzonitrile
SMILESN#Cc1ccccc1-c1ccc(CN2CCN(c3ncccc3F)CC2)o1
InChIInChI=1S/C21H19FN4O/c22-19-6-3-9-24-21(19)26-12-10-25(11-13-26)15-17-7-8-20(27-17)18-5-2-1-4-16(18)14-23/h1-9H,10-13,15H2
InChIKeyATOJBWNSHQAZMP-UHFFFAOYSA-N
MW362.41 g/mol
LogP3.67
Rot. Bonds4

About 2-[5-[[4-(3-fluoro-2-pyridinyl)piperazin-1-yl]methyl]furan-2-yl]benzonitrile

2-[5-[[4-(3-fluoro-2-pyridinyl)piperazin-1-yl]methyl]furan-2-yl]benzonitrile (PubChem CID 50979162) has the molecular formula C21H19FN4O and a molecular weight of 362.41 g/mol. Its IUPAC name is 2-[5-[[4-(3-fluoro-2-pyridinyl)piperazin-1-yl]methyl]furan-2-yl]benzonitrile.

Molecular Properties

Compound Name2-[5-[[4-(3-fluoro-2-pyridinyl)piperazin-1-yl]methyl]furan-2-yl]benzonitrile
PubChem CID50979162
Molecular FormulaC21H19FN4O
Molecular Weight362.41 g/mol
Exact Mass362.15
IUPAC Name2-[5-[[4-(3-fluoro-2-pyridinyl)piperazin-1-yl]methyl]furan-2-yl]benzonitrile
SMILESN#Cc1ccccc1-c1ccc(CN2CCN(c3ncccc3F)CC2)o1
InChIInChI=1S/C21H19FN4O/c22-19-6-3-9-24-21(19)26-12-10-25(11-13-26)15-17-7-8-20(27-17)18-5-2-1-4-16(18)14-23/h1-9H,10-13,15H2
InChIKeyATOJBWNSHQAZMP-UHFFFAOYSA-N
XLogP3.67
TPSA56.30 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.41
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]pyridine-3-carbonitrile
CID 31618852
1-[[5-(2-fluorophenyl)furan-2-yl]methyl]-4-(pyridin-3-ylmethyl)piperazine
CID 77081878
2-[5-[[(3R)-3-(methoxymethyl)pyrrolidin-1-yl]methyl]furan-2-yl]benzonitrile
CID 99953712
2-[5-[[(2R)-2-pyridin-2-ylpyrrolidin-1-yl]methyl]furan-2-yl]benzonitrile
CID 95729395
2-[4-[(2-bromophenyl)methyl]piperazin-1-yl]pyridine-3-carbonitrile
CID 134031869
2-[5-[(9,9-dimethyl-12-oxo-3,7,11-triazaspiro[5.6]dodecan-3-yl)methyl]furan-2-yl]benzonitrile
CID 138387730
2-[4-[[5-(4-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl]piperazin-1-yl]pyridine-3-carbonitrile
CID 78829218
3-amino-1-[[5-(2-cyanophenyl)furan-2-yl]methyl]pyrrolidine-3-carboxylic acid
CID 56719656
2-[5-[[3-(pyridin-3-ylmethoxy)piperidin-1-yl]methyl]furan-2-yl]benzonitrile
CID 56902027
2-[4-[2-(2,6-difluorophenyl)-2-hydroxyethyl]piperazin-1-yl]pyridine-3-carbonitrile
CID 110897687
1-[3-(2-fluorophenyl)-2-pyridinyl]-4-[(1-methylpyrazol-4-yl)methyl]piperazine;hydrochloride
CID 68594989
2-[4-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]piperazin-1-yl]pyridine-3-carbonitrile
CID 134031861

Frequently Asked Questions

What is the IUPAC name of 2-[5-[[4-(3-fluoro-2-pyridinyl)piperazin-1-yl]methyl]furan-2-yl]benzonitrile?
The IUPAC name of 2-[5-[[4-(3-fluoro-2-pyridinyl)piperazin-1-yl]methyl]furan-2-yl]benzonitrile (CID 50979162) is 2-[5-[[4-(3-fluoro-2-pyridinyl)piperazin-1-yl]methyl]furan-2-yl]benzonitrile.
What is the SMILES notation for 2-[5-[[4-(3-fluoro-2-pyridinyl)piperazin-1-yl]methyl]furan-2-yl]benzonitrile?
The canonical SMILES for 2-[5-[[4-(3-fluoro-2-pyridinyl)piperazin-1-yl]methyl]furan-2-yl]benzonitrile is N#Cc1ccccc1-c1ccc(CN2CCN(c3ncccc3F)CC2)o1.
What is the InChIKey of 2-[5-[[4-(3-fluoro-2-pyridinyl)piperazin-1-yl]methyl]furan-2-yl]benzonitrile?
The InChIKey is ATOJBWNSHQAZMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19FN4O/c22-19-6-3-9-24-21(19)26-12-10-25(11-13-26)15-17-7-8-20(27-17)18-5-2-1-4-16(18)14-23/h1-9H,10-13,15H2.
What are the key properties of 2-[5-[[4-(3-fluoro-2-pyridinyl)piperazin-1-yl]methyl]furan-2-yl]benzonitrile?
2-[5-[[4-(3-fluoro-2-pyridinyl)piperazin-1-yl]methyl]furan-2-yl]benzonitrile has a molecular weight of 362.41 g/mol, XLogP of 3.67, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[[4-(3-fluoro-2-pyridinyl)piperazin-1-yl]methyl]furan-2-yl]benzonitrile is sourced from PubChem (CID 50979162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).