6-(3-chlorophenyl)-8-(4-pyridin-4-ylpiperazin-1-yl)imidazo[1,2-a]pyrazine

C21H19ClN6 — CID 45488436

IUPAC6-(3-chlorophenyl)-8-(4-pyridin-4-ylpiperazin-1-yl)imidazo[1,2-a]pyrazine
SMILESClc1cccc(-c2cn3ccnc3c(N3CCN(c4ccncc4)CC3)n2)c1
InChIInChI=1S/C21H19ClN6/c22-17-3-1-2-16(14-17)19-15-28-9-8-24-20(28)21(25-19)27-12-10-26(11-13-27)18-4-6-23-7-5-18/h1-9,14-15H,10-13H2
InChIKeyKJBZMQQXKRZDSE-UHFFFAOYSA-N
MW390.88 g/mol
LogP3.77
Rot. Bonds3

About 6-(3-chlorophenyl)-8-(4-pyridin-4-ylpiperazin-1-yl)imidazo[1,2-a]pyrazine

6-(3-chlorophenyl)-8-(4-pyridin-4-ylpiperazin-1-yl)imidazo[1,2-a]pyrazine (PubChem CID 45488436) has the molecular formula C21H19ClN6 and a molecular weight of 390.88 g/mol. Its IUPAC name is 6-(3-chlorophenyl)-8-(4-pyridin-4-ylpiperazin-1-yl)imidazo[1,2-a]pyrazine.

Molecular Properties

Compound Name6-(3-chlorophenyl)-8-(4-pyridin-4-ylpiperazin-1-yl)imidazo[1,2-a]pyrazine
PubChem CID45488436
Molecular FormulaC21H19ClN6
Molecular Weight390.88 g/mol
Exact Mass390.14
IUPAC Name6-(3-chlorophenyl)-8-(4-pyridin-4-ylpiperazin-1-yl)imidazo[1,2-a]pyrazine
SMILESClc1cccc(-c2cn3ccnc3c(N3CCN(c4ccncc4)CC3)n2)c1
InChIInChI=1S/C21H19ClN6/c22-17-3-1-2-16(14-17)19-15-28-9-8-24-20(28)21(25-19)27-12-10-26(11-13-27)18-4-6-23-7-5-18/h1-9,14-15H,10-13H2
InChIKeyKJBZMQQXKRZDSE-UHFFFAOYSA-N
XLogP3.77
TPSA49.56 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.88
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-(3-chlorophenyl)-8-(4-pyridin-4-ylpiperazin-1-yl)imidazo[1,2-a]pyrazine?
The IUPAC name of 6-(3-chlorophenyl)-8-(4-pyridin-4-ylpiperazin-1-yl)imidazo[1,2-a]pyrazine (CID 45488436) is 6-(3-chlorophenyl)-8-(4-pyridin-4-ylpiperazin-1-yl)imidazo[1,2-a]pyrazine.
What is the SMILES notation for 6-(3-chlorophenyl)-8-(4-pyridin-4-ylpiperazin-1-yl)imidazo[1,2-a]pyrazine?
The canonical SMILES for 6-(3-chlorophenyl)-8-(4-pyridin-4-ylpiperazin-1-yl)imidazo[1,2-a]pyrazine is Clc1cccc(-c2cn3ccnc3c(N3CCN(c4ccncc4)CC3)n2)c1.
What is the InChIKey of 6-(3-chlorophenyl)-8-(4-pyridin-4-ylpiperazin-1-yl)imidazo[1,2-a]pyrazine?
The InChIKey is KJBZMQQXKRZDSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19ClN6/c22-17-3-1-2-16(14-17)19-15-28-9-8-24-20(28)21(25-19)27-12-10-26(11-13-27)18-4-6-23-7-5-18/h1-9,14-15H,10-13H2.
What are the key properties of 6-(3-chlorophenyl)-8-(4-pyridin-4-ylpiperazin-1-yl)imidazo[1,2-a]pyrazine?
6-(3-chlorophenyl)-8-(4-pyridin-4-ylpiperazin-1-yl)imidazo[1,2-a]pyrazine has a molecular weight of 390.88 g/mol, XLogP of 3.77, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-chlorophenyl)-8-(4-pyridin-4-ylpiperazin-1-yl)imidazo[1,2-a]pyrazine is sourced from PubChem (CID 45488436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).