2-[4-(4-pyridin-4-ylpyrimidin-2-yl)piperazin-1-yl]quinoxaline

C21H19N7 — CID 163352467

IUPAC2-[4-(4-pyridin-4-ylpyrimidin-2-yl)piperazin-1-yl]quinoxaline
SMILESc1ccc2nc(N3CCN(c4nccc(-c5ccncc5)n4)CC3)cnc2c1
InChIInChI=1S/C21H19N7/c1-2-4-19-18(3-1)24-15-20(25-19)27-11-13-28(14-12-27)21-23-10-7-17(26-21)16-5-8-22-9-6-16/h1-10,15H,11-14H2
InChIKeyUERAXCUDDSHKBT-UHFFFAOYSA-N
MW369.43 g/mol
LogP2.81
Rot. Bonds3

About 2-[4-(4-pyridin-4-ylpyrimidin-2-yl)piperazin-1-yl]quinoxaline

2-[4-(4-pyridin-4-ylpyrimidin-2-yl)piperazin-1-yl]quinoxaline (PubChem CID 163352467) has the molecular formula C21H19N7 and a molecular weight of 369.43 g/mol. Its IUPAC name is 2-[4-(4-pyridin-4-ylpyrimidin-2-yl)piperazin-1-yl]quinoxaline.

Molecular Properties

Compound Name2-[4-(4-pyridin-4-ylpyrimidin-2-yl)piperazin-1-yl]quinoxaline
PubChem CID163352467
Molecular FormulaC21H19N7
Molecular Weight369.43 g/mol
Exact Mass369.17
IUPAC Name2-[4-(4-pyridin-4-ylpyrimidin-2-yl)piperazin-1-yl]quinoxaline
SMILESc1ccc2nc(N3CCN(c4nccc(-c5ccncc5)n4)CC3)cnc2c1
InChIInChI=1S/C21H19N7/c1-2-4-19-18(3-1)24-15-20(25-19)27-11-13-28(14-12-27)21-23-10-7-17(26-21)16-5-8-22-9-6-16/h1-10,15H,11-14H2
InChIKeyUERAXCUDDSHKBT-UHFFFAOYSA-N
XLogP2.81
TPSA70.93 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.43
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

2-[4-(4-pyrrolidin-1-ylpyrimidin-2-yl)piperazin-1-yl]quinoxaline
CID 154883204
2-[4-(5-chloropyrimidin-2-yl)piperazin-1-yl]-4-pyridin-4-ylpyrimidine
CID 163351993
2-[4-(4-pyridin-4-ylpyrimidin-2-yl)piperazin-1-yl]-1,3-benzoxazole
CID 163352457
2-(4-hydroxypiperazin-1-yl)quinoxaline
CID 46878257
3-(4-pyrimidin-2-ylpiperazin-1-yl)benzo[g]quinoxaline
CID 70165871
2-cyclopropyl-4-methyl-6-[4-(4-pyridin-4-ylpyrimidin-2-yl)piperazin-1-yl]pyrimidine
CID 163348410
2-[4-[6-(4-fluorophenyl)pyridazin-3-yl]piperazin-1-yl]quinoxaline
CID 108776824
2-(4-pyrimidin-2-ylpiperazin-1-yl)quinoline
CID 7033665
2-methyl-3-(4-quinoxalin-2-ylpiperazin-1-yl)quinoxaline
CID 108776804
6-chloro-2-(4-pyrimidin-2-ylpiperazin-1-yl)quinoxaline
CID 171691657
2-(4-methylpiperazin-1-yl)-4-pyridin-3-ylpyrimidine
CID 44613762
2-[4-(pyridin-3-ylmethyl)piperazin-1-yl]quinoxaline
CID 33378276

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-pyridin-4-ylpyrimidin-2-yl)piperazin-1-yl]quinoxaline?
The IUPAC name of 2-[4-(4-pyridin-4-ylpyrimidin-2-yl)piperazin-1-yl]quinoxaline (CID 163352467) is 2-[4-(4-pyridin-4-ylpyrimidin-2-yl)piperazin-1-yl]quinoxaline.
What is the SMILES notation for 2-[4-(4-pyridin-4-ylpyrimidin-2-yl)piperazin-1-yl]quinoxaline?
The canonical SMILES for 2-[4-(4-pyridin-4-ylpyrimidin-2-yl)piperazin-1-yl]quinoxaline is c1ccc2nc(N3CCN(c4nccc(-c5ccncc5)n4)CC3)cnc2c1.
What is the InChIKey of 2-[4-(4-pyridin-4-ylpyrimidin-2-yl)piperazin-1-yl]quinoxaline?
The InChIKey is UERAXCUDDSHKBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N7/c1-2-4-19-18(3-1)24-15-20(25-19)27-11-13-28(14-12-27)21-23-10-7-17(26-21)16-5-8-22-9-6-16/h1-10,15H,11-14H2.
What are the key properties of 2-[4-(4-pyridin-4-ylpyrimidin-2-yl)piperazin-1-yl]quinoxaline?
2-[4-(4-pyridin-4-ylpyrimidin-2-yl)piperazin-1-yl]quinoxaline has a molecular weight of 369.43 g/mol, XLogP of 2.81, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-pyridin-4-ylpyrimidin-2-yl)piperazin-1-yl]quinoxaline is sourced from PubChem (CID 163352467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).