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

C23H16N6 — CID 155558591

IUPAC4-[6-(1-benzylpyrazol-4-yl)imidazo[1,2-a]pyrazin-3-yl]benzonitrile
SMILESN#Cc1ccc(-c2cnc3cnc(-c4cnn(Cc5ccccc5)c4)cn23)cc1
InChIInChI=1S/C23H16N6/c24-10-17-6-8-19(9-7-17)22-12-26-23-13-25-21(16-29(22)23)20-11-27-28(15-20)14-18-4-2-1-3-5-18/h1-9,11-13,15-16H,14H2
InChIKeyGXKJWWZILJBWIZ-UHFFFAOYSA-N
MW376.42 g/mol
LogP4.18
Rot. Bonds4

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

4-[6-(1-benzylpyrazol-4-yl)imidazo[1,2-a]pyrazin-3-yl]benzonitrile (PubChem CID 155558591) has the molecular formula C23H16N6 and a molecular weight of 376.42 g/mol. Its IUPAC name is 4-[6-(1-benzylpyrazol-4-yl)imidazo[1,2-a]pyrazin-3-yl]benzonitrile.

Molecular Properties

Compound Name4-[6-(1-benzylpyrazol-4-yl)imidazo[1,2-a]pyrazin-3-yl]benzonitrile
PubChem CID155558591
Molecular FormulaC23H16N6
Molecular Weight376.42 g/mol
Exact Mass376.14
IUPAC Name4-[6-(1-benzylpyrazol-4-yl)imidazo[1,2-a]pyrazin-3-yl]benzonitrile
SMILESN#Cc1ccc(-c2cnc3cnc(-c4cnn(Cc5ccccc5)c4)cn23)cc1
InChIInChI=1S/C23H16N6/c24-10-17-6-8-19(9-7-17)22-12-26-23-13-25-21(16-29(22)23)20-11-27-28(15-20)14-18-4-2-1-3-5-18/h1-9,11-13,15-16H,14H2
InChIKeyGXKJWWZILJBWIZ-UHFFFAOYSA-N
XLogP4.18
TPSA71.80 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.42
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[6-(1-benzylpyrazol-4-yl)imidazo[1,2-a]pyrazin-3-yl]benzonitrile?
The IUPAC name of 4-[6-(1-benzylpyrazol-4-yl)imidazo[1,2-a]pyrazin-3-yl]benzonitrile (CID 155558591) is 4-[6-(1-benzylpyrazol-4-yl)imidazo[1,2-a]pyrazin-3-yl]benzonitrile.
What is the SMILES notation for 4-[6-(1-benzylpyrazol-4-yl)imidazo[1,2-a]pyrazin-3-yl]benzonitrile?
The canonical SMILES for 4-[6-(1-benzylpyrazol-4-yl)imidazo[1,2-a]pyrazin-3-yl]benzonitrile is N#Cc1ccc(-c2cnc3cnc(-c4cnn(Cc5ccccc5)c4)cn23)cc1.
What is the InChIKey of 4-[6-(1-benzylpyrazol-4-yl)imidazo[1,2-a]pyrazin-3-yl]benzonitrile?
The InChIKey is GXKJWWZILJBWIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16N6/c24-10-17-6-8-19(9-7-17)22-12-26-23-13-25-21(16-29(22)23)20-11-27-28(15-20)14-18-4-2-1-3-5-18/h1-9,11-13,15-16H,14H2.
What are the key properties of 4-[6-(1-benzylpyrazol-4-yl)imidazo[1,2-a]pyrazin-3-yl]benzonitrile?
4-[6-(1-benzylpyrazol-4-yl)imidazo[1,2-a]pyrazin-3-yl]benzonitrile has a molecular weight of 376.42 g/mol, XLogP of 4.18, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-(1-benzylpyrazol-4-yl)imidazo[1,2-a]pyrazin-3-yl]benzonitrile is sourced from PubChem (CID 155558591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).