4-[6-(3-chlorophenyl)imidazo[1,2-a]pyrazin-3-yl]benzonitrile

C19H11ClN4 — CID 155568839

IUPAC4-[6-(3-chlorophenyl)imidazo[1,2-a]pyrazin-3-yl]benzonitrile
SMILESN#Cc1ccc(-c2cnc3cnc(-c4cccc(Cl)c4)cn23)cc1
InChIInChI=1S/C19H11ClN4/c20-16-3-1-2-15(8-16)17-12-24-18(10-23-19(24)11-22-17)14-6-4-13(9-21)5-7-14/h1-8,10-12H
InChIKeyLPTJSSPCZRKJPB-UHFFFAOYSA-N
MW330.78 g/mol
LogP4.59
Rot. Bonds2

About 4-[6-(3-chlorophenyl)imidazo[1,2-a]pyrazin-3-yl]benzonitrile

4-[6-(3-chlorophenyl)imidazo[1,2-a]pyrazin-3-yl]benzonitrile (PubChem CID 155568839) has the molecular formula C19H11ClN4 and a molecular weight of 330.78 g/mol. Its IUPAC name is 4-[6-(3-chlorophenyl)imidazo[1,2-a]pyrazin-3-yl]benzonitrile.

Molecular Properties

Compound Name4-[6-(3-chlorophenyl)imidazo[1,2-a]pyrazin-3-yl]benzonitrile
PubChem CID155568839
Molecular FormulaC19H11ClN4
Molecular Weight330.78 g/mol
Exact Mass330.07
IUPAC Name4-[6-(3-chlorophenyl)imidazo[1,2-a]pyrazin-3-yl]benzonitrile
SMILESN#Cc1ccc(-c2cnc3cnc(-c4cccc(Cl)c4)cn23)cc1
InChIInChI=1S/C19H11ClN4/c20-16-3-1-2-15(8-16)17-12-24-18(10-23-19(24)11-22-17)14-6-4-13(9-21)5-7-14/h1-8,10-12H
InChIKeyLPTJSSPCZRKJPB-UHFFFAOYSA-N
XLogP4.59
TPSA53.98 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.78
LogP ≤ 54.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-[6-(1-benzylpyrazol-4-yl)imidazo[1,2-a]pyrazin-3-yl]benzonitrile
CID 155558591
3-(3-chloro-4-fluorophenyl)-6-thiophen-2-ylimidazo[1,2-a]pyrazine
CID 155545000
3-(4-fluorophenyl)-6-(3-propan-2-yloxyphenyl)imidazo[1,2-a]pyrazine
CID 162644685
3-[3-(1,3-benzodioxol-5-yl)imidazo[1,2-a]pyrazin-6-yl]aniline
CID 155550651
1-[3-[6-(2-chlorophenyl)imidazo[1,2-a]pyrazin-3-yl]phenyl]ethanone
CID 155543418
3-(6-thiophen-3-ylimidazo[1,2-a]pyrazin-3-yl)phenol
CID 126672810
4-[6-(6-chloro-3-pyridinyl)imidazo[1,2-a]pyrazin-3-yl]-N-methylaniline
CID 144630511
3-(4-chloro-3-fluorophenyl)-N-(4-cyanophenyl)-N-methylimidazo[1,2-a]pyrazine-6-carboxamide
CID 74766720
N-[3-[3-(4-methoxyphenyl)imidazo[1,2-a]pyrazin-6-yl]phenyl]acetamide
CID 155548764
6-(3-propan-2-ylphenyl)-3-[4-(trifluoromethoxy)phenyl]imidazo[1,2-a]pyrazine
CID 162651424
3-(6-chloro-3-pyridinyl)-N-(4-cyanophenyl)-N-methylimidazo[1,2-a]pyrazine-6-carboxamide
CID 90157437
5-(3-chlorophenyl)pyridine-3-carbonitrile
CID 71303498

Frequently Asked Questions

What is the IUPAC name of 4-[6-(3-chlorophenyl)imidazo[1,2-a]pyrazin-3-yl]benzonitrile?
The IUPAC name of 4-[6-(3-chlorophenyl)imidazo[1,2-a]pyrazin-3-yl]benzonitrile (CID 155568839) is 4-[6-(3-chlorophenyl)imidazo[1,2-a]pyrazin-3-yl]benzonitrile.
What is the SMILES notation for 4-[6-(3-chlorophenyl)imidazo[1,2-a]pyrazin-3-yl]benzonitrile?
The canonical SMILES for 4-[6-(3-chlorophenyl)imidazo[1,2-a]pyrazin-3-yl]benzonitrile is N#Cc1ccc(-c2cnc3cnc(-c4cccc(Cl)c4)cn23)cc1.
What is the InChIKey of 4-[6-(3-chlorophenyl)imidazo[1,2-a]pyrazin-3-yl]benzonitrile?
The InChIKey is LPTJSSPCZRKJPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H11ClN4/c20-16-3-1-2-15(8-16)17-12-24-18(10-23-19(24)11-22-17)14-6-4-13(9-21)5-7-14/h1-8,10-12H.
What are the key properties of 4-[6-(3-chlorophenyl)imidazo[1,2-a]pyrazin-3-yl]benzonitrile?
4-[6-(3-chlorophenyl)imidazo[1,2-a]pyrazin-3-yl]benzonitrile has a molecular weight of 330.78 g/mol, XLogP of 4.59, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-(3-chlorophenyl)imidazo[1,2-a]pyrazin-3-yl]benzonitrile is sourced from PubChem (CID 155568839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).