4-[3-(4-methylphenyl)-8-piperidin-1-ylimidazo[1,2-a]pyrazin-2-yl]benzonitrile

C25H23N5 — CID 175805741

IUPAC4-[3-(4-methylphenyl)-8-piperidin-1-ylimidazo[1,2-a]pyrazin-2-yl]benzonitrile
SMILESCc1ccc(-c2c(-c3ccc(C#N)cc3)nc3c(N4CCCCC4)nccn23)cc1
InChIInChI=1S/C25H23N5/c1-18-5-9-21(10-6-18)23-22(20-11-7-19(17-26)8-12-20)28-25-24(27-13-16-30(23)25)29-14-3-2-4-15-29/h5-13,16H,2-4,14-15H2,1H3
InChIKeyTUNOPGJUCMNQGZ-UHFFFAOYSA-N
MW393.49 g/mol
LogP5.23
Rot. Bonds3

About 4-[3-(4-methylphenyl)-8-piperidin-1-ylimidazo[1,2-a]pyrazin-2-yl]benzonitrile

4-[3-(4-methylphenyl)-8-piperidin-1-ylimidazo[1,2-a]pyrazin-2-yl]benzonitrile (PubChem CID 175805741) has the molecular formula C25H23N5 and a molecular weight of 393.49 g/mol. Its IUPAC name is 4-[3-(4-methylphenyl)-8-piperidin-1-ylimidazo[1,2-a]pyrazin-2-yl]benzonitrile.

Molecular Properties

Compound Name4-[3-(4-methylphenyl)-8-piperidin-1-ylimidazo[1,2-a]pyrazin-2-yl]benzonitrile
PubChem CID175805741
Molecular FormulaC25H23N5
Molecular Weight393.49 g/mol
Exact Mass393.20
IUPAC Name4-[3-(4-methylphenyl)-8-piperidin-1-ylimidazo[1,2-a]pyrazin-2-yl]benzonitrile
SMILESCc1ccc(-c2c(-c3ccc(C#N)cc3)nc3c(N4CCCCC4)nccn23)cc1
InChIInChI=1S/C25H23N5/c1-18-5-9-21(10-6-18)23-22(20-11-7-19(17-26)8-12-20)28-25-24(27-13-16-30(23)25)29-14-3-2-4-15-29/h5-13,16H,2-4,14-15H2,1H3
InChIKeyTUNOPGJUCMNQGZ-UHFFFAOYSA-N
XLogP5.23
TPSA57.22 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500393.49
LogP ≤ 55.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(4-methylphenyl)-8-piperidin-1-ylimidazo[1,2-a]pyrazin-2-yl]benzonitrile?
The IUPAC name of 4-[3-(4-methylphenyl)-8-piperidin-1-ylimidazo[1,2-a]pyrazin-2-yl]benzonitrile (CID 175805741) is 4-[3-(4-methylphenyl)-8-piperidin-1-ylimidazo[1,2-a]pyrazin-2-yl]benzonitrile.
What is the SMILES notation for 4-[3-(4-methylphenyl)-8-piperidin-1-ylimidazo[1,2-a]pyrazin-2-yl]benzonitrile?
The canonical SMILES for 4-[3-(4-methylphenyl)-8-piperidin-1-ylimidazo[1,2-a]pyrazin-2-yl]benzonitrile is Cc1ccc(-c2c(-c3ccc(C#N)cc3)nc3c(N4CCCCC4)nccn23)cc1.
What is the InChIKey of 4-[3-(4-methylphenyl)-8-piperidin-1-ylimidazo[1,2-a]pyrazin-2-yl]benzonitrile?
The InChIKey is TUNOPGJUCMNQGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N5/c1-18-5-9-21(10-6-18)23-22(20-11-7-19(17-26)8-12-20)28-25-24(27-13-16-30(23)25)29-14-3-2-4-15-29/h5-13,16H,2-4,14-15H2,1H3.
What are the key properties of 4-[3-(4-methylphenyl)-8-piperidin-1-ylimidazo[1,2-a]pyrazin-2-yl]benzonitrile?
4-[3-(4-methylphenyl)-8-piperidin-1-ylimidazo[1,2-a]pyrazin-2-yl]benzonitrile has a molecular weight of 393.49 g/mol, XLogP of 5.23, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(4-methylphenyl)-8-piperidin-1-ylimidazo[1,2-a]pyrazin-2-yl]benzonitrile is sourced from PubChem (CID 175805741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).