2-fluoro-6-[4-(6-pyrazol-1-ylpyrimidin-4-yl)piperazin-1-yl]benzonitrile

C18H16FN7 — CID 166605489

IUPAC2-fluoro-6-[4-(6-pyrazol-1-ylpyrimidin-4-yl)piperazin-1-yl]benzonitrile
SMILESN#Cc1c(F)cccc1N1CCN(c2cc(-n3cccn3)ncn2)CC1
InChIInChI=1S/C18H16FN7/c19-15-3-1-4-16(14(15)12-20)24-7-9-25(10-8-24)17-11-18(22-13-21-17)26-6-2-5-23-26/h1-6,11,13H,7-10H2
InChIKeyJEGLBCKOZVUFDO-UHFFFAOYSA-N
MW349.37 g/mol
LogP2.00
Rot. Bonds3

About 2-fluoro-6-[4-(6-pyrazol-1-ylpyrimidin-4-yl)piperazin-1-yl]benzonitrile

2-fluoro-6-[4-(6-pyrazol-1-ylpyrimidin-4-yl)piperazin-1-yl]benzonitrile (PubChem CID 166605489) has the molecular formula C18H16FN7 and a molecular weight of 349.37 g/mol. Its IUPAC name is 2-fluoro-6-[4-(6-pyrazol-1-ylpyrimidin-4-yl)piperazin-1-yl]benzonitrile.

Molecular Properties

Compound Name2-fluoro-6-[4-(6-pyrazol-1-ylpyrimidin-4-yl)piperazin-1-yl]benzonitrile
PubChem CID166605489
Molecular FormulaC18H16FN7
Molecular Weight349.37 g/mol
Exact Mass349.15
IUPAC Name2-fluoro-6-[4-(6-pyrazol-1-ylpyrimidin-4-yl)piperazin-1-yl]benzonitrile
SMILESN#Cc1c(F)cccc1N1CCN(c2cc(-n3cccn3)ncn2)CC1
InChIInChI=1S/C18H16FN7/c19-15-3-1-4-16(14(15)12-20)24-7-9-25(10-8-24)17-11-18(22-13-21-17)26-6-2-5-23-26/h1-6,11,13H,7-10H2
InChIKeyJEGLBCKOZVUFDO-UHFFFAOYSA-N
XLogP2.00
TPSA73.87 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.37
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

4-[4-(3-fluoro-2-pyridinyl)piperazin-1-yl]-6-pyrazol-1-ylpyrimidine
CID 165433573
3-fluoro-5-[4-(6-pyrazol-1-ylpyrimidin-4-yl)piperazin-1-yl]benzonitrile
CID 171327506
2-fluoro-6-piperazin-1-ylbenzonitrile;hydrochloride
CID 42935470
2-[4-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]piperazin-1-yl]-6-(trifluoromethyl)benzonitrile
CID 171327378
4-[4-(3-methoxyphenyl)piperazin-1-yl]-6-pyrazol-1-ylpyrimidine
CID 154853650
5-[4-(2-cyano-3-fluorophenyl)piperazin-1-yl]pyrazine-2-carboxylic acid
CID 122047657
2-[4-(6-methylpyrimidin-4-yl)piperazin-1-yl]-6-(trifluoromethyl)benzonitrile
CID 166601270
4-(4-benzylpiperazin-1-yl)-6-pyrazol-1-ylpyrimidine
CID 10805650
4-[4-(2-fluorophenyl)piperazin-1-yl]-6-(4-methylpiperazin-1-yl)pyrimidine
CID 112857944
4-pyrazol-1-yl-6-[4-(trifluoromethyl)piperidin-1-yl]pyrimidine
CID 155974337
2-fluoro-6-(4-methyl-1,4-diazepan-1-yl)benzonitrile
CID 47114120
4,5-dimethyl-6-[4-(6-pyrazol-1-ylpyrimidin-4-yl)piperazin-1-yl]pyrimidine
CID 146074558

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-6-[4-(6-pyrazol-1-ylpyrimidin-4-yl)piperazin-1-yl]benzonitrile?
The IUPAC name of 2-fluoro-6-[4-(6-pyrazol-1-ylpyrimidin-4-yl)piperazin-1-yl]benzonitrile (CID 166605489) is 2-fluoro-6-[4-(6-pyrazol-1-ylpyrimidin-4-yl)piperazin-1-yl]benzonitrile.
What is the SMILES notation for 2-fluoro-6-[4-(6-pyrazol-1-ylpyrimidin-4-yl)piperazin-1-yl]benzonitrile?
The canonical SMILES for 2-fluoro-6-[4-(6-pyrazol-1-ylpyrimidin-4-yl)piperazin-1-yl]benzonitrile is N#Cc1c(F)cccc1N1CCN(c2cc(-n3cccn3)ncn2)CC1.
What is the InChIKey of 2-fluoro-6-[4-(6-pyrazol-1-ylpyrimidin-4-yl)piperazin-1-yl]benzonitrile?
The InChIKey is JEGLBCKOZVUFDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16FN7/c19-15-3-1-4-16(14(15)12-20)24-7-9-25(10-8-24)17-11-18(22-13-21-17)26-6-2-5-23-26/h1-6,11,13H,7-10H2.
What are the key properties of 2-fluoro-6-[4-(6-pyrazol-1-ylpyrimidin-4-yl)piperazin-1-yl]benzonitrile?
2-fluoro-6-[4-(6-pyrazol-1-ylpyrimidin-4-yl)piperazin-1-yl]benzonitrile has a molecular weight of 349.37 g/mol, XLogP of 2.00, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-6-[4-(6-pyrazol-1-ylpyrimidin-4-yl)piperazin-1-yl]benzonitrile is sourced from PubChem (CID 166605489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).