2-[4-[6-(4-fluorophenyl)pyridazin-3-yl]piperazin-1-yl]quinoxaline

C22H19FN6 — CID 108776824

IUPAC2-[4-[6-(4-fluorophenyl)pyridazin-3-yl]piperazin-1-yl]quinoxaline
SMILESFc1ccc(-c2ccc(N3CCN(c4cnc5ccccc5n4)CC3)nn2)cc1
InChIInChI=1S/C22H19FN6/c23-17-7-5-16(6-8-17)18-9-10-21(27-26-18)28-11-13-29(14-12-28)22-15-24-19-3-1-2-4-20(19)25-22/h1-10,15H,11-14H2
InChIKeySYWMKBOCFXQDMX-UHFFFAOYSA-N
MW386.43 g/mol
LogP3.55
Rot. Bonds3

About 2-[4-[6-(4-fluorophenyl)pyridazin-3-yl]piperazin-1-yl]quinoxaline

2-[4-[6-(4-fluorophenyl)pyridazin-3-yl]piperazin-1-yl]quinoxaline (PubChem CID 108776824) has the molecular formula C22H19FN6 and a molecular weight of 386.43 g/mol. Its IUPAC name is 2-[4-[6-(4-fluorophenyl)pyridazin-3-yl]piperazin-1-yl]quinoxaline.

Molecular Properties

Compound Name2-[4-[6-(4-fluorophenyl)pyridazin-3-yl]piperazin-1-yl]quinoxaline
PubChem CID108776824
Molecular FormulaC22H19FN6
Molecular Weight386.43 g/mol
Exact Mass386.17
IUPAC Name2-[4-[6-(4-fluorophenyl)pyridazin-3-yl]piperazin-1-yl]quinoxaline
SMILESFc1ccc(-c2ccc(N3CCN(c4cnc5ccccc5n4)CC3)nn2)cc1
InChIInChI=1S/C22H19FN6/c23-17-7-5-16(6-8-17)18-9-10-21(27-26-18)28-11-13-29(14-12-28)22-15-24-19-3-1-2-4-20(19)25-22/h1-10,15H,11-14H2
InChIKeySYWMKBOCFXQDMX-UHFFFAOYSA-N
XLogP3.55
TPSA58.04 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.43
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-[4-[6-(4-fluorophenyl)pyridazin-3-yl]piperazin-1-yl]-4-methylquinoline
CID 108777251
2-[4-[6-(5,6,7,8-tetrahydronaphthalen-2-yl)pyridazin-3-yl]piperazin-1-yl]quinoxaline
CID 108776851
2-[[4-[6-(4-fluorophenyl)pyridazin-3-yl]piperazin-1-yl]methyl]-1H-benzimidazole
CID 139028312
4-(4-fluorophenyl)-1-quinoxalin-2-ylpiperidin-4-ol
CID 155263860
5-[4-[6-(4-fluorophenyl)pyridazin-3-yl]piperazin-1-yl]pyridin-2-amine
CID 133304096
4-methyl-2-[4-[6-(4-methylphenyl)pyridazin-3-yl]piperazin-1-yl]quinoline
CID 108777282
4-methyl-2-[4-(6-phenylpyridazin-3-yl)piperazin-1-yl]quinoline
CID 108777250
1-[6-(4-fluorophenyl)pyridazin-3-yl]piperidin-4-amine
CID 56770269
2-(4-hydroxypiperazin-1-yl)quinoxaline
CID 46878257
2-chloro-3-[4-(6-phenylpyridazin-3-yl)piperazin-1-yl]quinoxaline
CID 108772920
1-[6-(4-fluorophenyl)pyridazin-3-yl]-4-propyl-1,4-diazepane
CID 133314322
3-[4-(2-fluorophenyl)piperazin-1-yl]-6-phenylpyridazine
CID 29134956

Frequently Asked Questions

What is the IUPAC name of 2-[4-[6-(4-fluorophenyl)pyridazin-3-yl]piperazin-1-yl]quinoxaline?
The IUPAC name of 2-[4-[6-(4-fluorophenyl)pyridazin-3-yl]piperazin-1-yl]quinoxaline (CID 108776824) is 2-[4-[6-(4-fluorophenyl)pyridazin-3-yl]piperazin-1-yl]quinoxaline.
What is the SMILES notation for 2-[4-[6-(4-fluorophenyl)pyridazin-3-yl]piperazin-1-yl]quinoxaline?
The canonical SMILES for 2-[4-[6-(4-fluorophenyl)pyridazin-3-yl]piperazin-1-yl]quinoxaline is Fc1ccc(-c2ccc(N3CCN(c4cnc5ccccc5n4)CC3)nn2)cc1.
What is the InChIKey of 2-[4-[6-(4-fluorophenyl)pyridazin-3-yl]piperazin-1-yl]quinoxaline?
The InChIKey is SYWMKBOCFXQDMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19FN6/c23-17-7-5-16(6-8-17)18-9-10-21(27-26-18)28-11-13-29(14-12-28)22-15-24-19-3-1-2-4-20(19)25-22/h1-10,15H,11-14H2.
What are the key properties of 2-[4-[6-(4-fluorophenyl)pyridazin-3-yl]piperazin-1-yl]quinoxaline?
2-[4-[6-(4-fluorophenyl)pyridazin-3-yl]piperazin-1-yl]quinoxaline has a molecular weight of 386.43 g/mol, XLogP of 3.55, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[6-(4-fluorophenyl)pyridazin-3-yl]piperazin-1-yl]quinoxaline is sourced from PubChem (CID 108776824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).