3-[4-[[1-(difluoromethyl)imidazol-2-yl]methyl]piperazin-1-yl]pyrazine-2-carbonitrile

C14H15F2N7 — CID 133284368

IUPAC3-[4-[[1-(difluoromethyl)imidazol-2-yl]methyl]piperazin-1-yl]pyrazine-2-carbonitrile
SMILESN#Cc1nccnc1N1CCN(Cc2nccn2C(F)F)CC1
InChIInChI=1S/C14H15F2N7/c15-14(16)23-4-3-19-12(23)10-21-5-7-22(8-6-21)13-11(9-17)18-1-2-20-13/h1-4,14H,5-8,10H2
InChIKeyCGKPEHVVLZKFLO-UHFFFAOYSA-N
MW319.32 g/mol
LogP1.26
Rot. Bonds4

About 3-[4-[[1-(difluoromethyl)imidazol-2-yl]methyl]piperazin-1-yl]pyrazine-2-carbonitrile

3-[4-[[1-(difluoromethyl)imidazol-2-yl]methyl]piperazin-1-yl]pyrazine-2-carbonitrile (PubChem CID 133284368) has the molecular formula C14H15F2N7 and a molecular weight of 319.32 g/mol. Its IUPAC name is 3-[4-[[1-(difluoromethyl)imidazol-2-yl]methyl]piperazin-1-yl]pyrazine-2-carbonitrile.

Molecular Properties

Compound Name3-[4-[[1-(difluoromethyl)imidazol-2-yl]methyl]piperazin-1-yl]pyrazine-2-carbonitrile
PubChem CID133284368
Molecular FormulaC14H15F2N7
Molecular Weight319.32 g/mol
Exact Mass319.14
IUPAC Name3-[4-[[1-(difluoromethyl)imidazol-2-yl]methyl]piperazin-1-yl]pyrazine-2-carbonitrile
SMILESN#Cc1nccnc1N1CCN(Cc2nccn2C(F)F)CC1
InChIInChI=1S/C14H15F2N7/c15-14(16)23-4-3-19-12(23)10-21-5-7-22(8-6-21)13-11(9-17)18-1-2-20-13/h1-4,14H,5-8,10H2
InChIKeyCGKPEHVVLZKFLO-UHFFFAOYSA-N
XLogP1.26
TPSA73.87 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.32
LogP ≤ 51.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

4-acetyl-2-[4-[[1-(difluoromethyl)imidazol-2-yl]methyl]piperazin-1-yl]benzonitrile
CID 133456890
3-[4-[[1-(difluoromethyl)imidazol-2-yl]methyl]piperazin-1-yl]propan-1-ol
CID 111544146
1-[[1-(difluoromethyl)imidazol-2-yl]methyl]-1,4-diazepane
CID 43144074
3-[4-(cyclohexylmethyl)piperazin-1-yl]pyrazine-2-carbonitrile
CID 133284433
3-[4-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]piperazin-1-yl]pyrazine-2-carbonitrile
CID 172880808
1-[4-[[1-(difluoromethyl)imidazol-2-yl]methyl]piperazin-1-yl]-3-methylpyrido[1,2-a]benzimidazole-4-carbonitrile
CID 133276330
1-[[1-(difluoromethyl)imidazol-2-yl]methyl]-4-(naphthalen-1-ylmethyl)piperazine
CID 71900678
4-[4-[[1-(difluoromethyl)imidazol-2-yl]methyl]piperazin-1-yl]-2-pyridin-4-ylquinazoline
CID 133276321
1-(5-chloro-2-methylphenyl)-4-[[1-(difluoromethyl)imidazol-2-yl]methyl]piperazine
CID 78828337
1-[4-[[1-(difluoromethyl)imidazol-2-yl]methyl]piperazin-1-yl]butan-1-one
CID 166191537
3-[4-(1-cyanopropyl)piperazin-1-yl]pyrazine-2-carbonitrile
CID 63343981
1-[4-[[1-(difluoromethyl)imidazol-2-yl]methyl]piperazin-1-yl]-2-(methylamino)ethanone;hydrochloride
CID 120704064

Frequently Asked Questions

What is the IUPAC name of 3-[4-[[1-(difluoromethyl)imidazol-2-yl]methyl]piperazin-1-yl]pyrazine-2-carbonitrile?
The IUPAC name of 3-[4-[[1-(difluoromethyl)imidazol-2-yl]methyl]piperazin-1-yl]pyrazine-2-carbonitrile (CID 133284368) is 3-[4-[[1-(difluoromethyl)imidazol-2-yl]methyl]piperazin-1-yl]pyrazine-2-carbonitrile.
What is the SMILES notation for 3-[4-[[1-(difluoromethyl)imidazol-2-yl]methyl]piperazin-1-yl]pyrazine-2-carbonitrile?
The canonical SMILES for 3-[4-[[1-(difluoromethyl)imidazol-2-yl]methyl]piperazin-1-yl]pyrazine-2-carbonitrile is N#Cc1nccnc1N1CCN(Cc2nccn2C(F)F)CC1.
What is the InChIKey of 3-[4-[[1-(difluoromethyl)imidazol-2-yl]methyl]piperazin-1-yl]pyrazine-2-carbonitrile?
The InChIKey is CGKPEHVVLZKFLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F2N7/c15-14(16)23-4-3-19-12(23)10-21-5-7-22(8-6-21)13-11(9-17)18-1-2-20-13/h1-4,14H,5-8,10H2.
What are the key properties of 3-[4-[[1-(difluoromethyl)imidazol-2-yl]methyl]piperazin-1-yl]pyrazine-2-carbonitrile?
3-[4-[[1-(difluoromethyl)imidazol-2-yl]methyl]piperazin-1-yl]pyrazine-2-carbonitrile has a molecular weight of 319.32 g/mol, XLogP of 1.26, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[[1-(difluoromethyl)imidazol-2-yl]methyl]piperazin-1-yl]pyrazine-2-carbonitrile is sourced from PubChem (CID 133284368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).