4-[6-[2-(3-fluorophenyl)piperidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]benzonitrile

C24H20FN5 — CID 44518384

IUPAC4-[6-[2-(3-fluorophenyl)piperidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]benzonitrile
SMILESN#Cc1ccc(-c2cnc3ccc(N4CCCCC4c4cccc(F)c4)nn23)cc1
InChIInChI=1S/C24H20FN5/c25-20-5-3-4-19(14-20)21-6-1-2-13-29(21)24-12-11-23-27-16-22(30(23)28-24)18-9-7-17(15-26)8-10-18/h3-5,7-12,14,16,21H,1-2,6,13H2
InChIKeyWJSPZKYFHWWSDK-UHFFFAOYSA-N
MW397.46 g/mol
LogP5.14
Rot. Bonds3

About 4-[6-[2-(3-fluorophenyl)piperidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]benzonitrile

4-[6-[2-(3-fluorophenyl)piperidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]benzonitrile (PubChem CID 44518384) has the molecular formula C24H20FN5 and a molecular weight of 397.46 g/mol. Its IUPAC name is 4-[6-[2-(3-fluorophenyl)piperidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]benzonitrile.

Molecular Properties

Compound Name4-[6-[2-(3-fluorophenyl)piperidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]benzonitrile
PubChem CID44518384
Molecular FormulaC24H20FN5
Molecular Weight397.46 g/mol
Exact Mass397.17
IUPAC Name4-[6-[2-(3-fluorophenyl)piperidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]benzonitrile
SMILESN#Cc1ccc(-c2cnc3ccc(N4CCCCC4c4cccc(F)c4)nn23)cc1
InChIInChI=1S/C24H20FN5/c25-20-5-3-4-19(14-20)21-6-1-2-13-29(21)24-12-11-23-27-16-22(30(23)28-24)18-9-7-17(15-26)8-10-18/h3-5,7-12,14,16,21H,1-2,6,13H2
InChIKeyWJSPZKYFHWWSDK-UHFFFAOYSA-N
XLogP5.14
TPSA57.22 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500397.46
LogP ≤ 55.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

Adipiplon
CID 11198924
Tegobuvir
CID 23649154
Amdizalisib
CID 118981804
3-(2-Pyridyl)-5,6-diphenyl-1,2,4-triazine
CID 70588
Fazadinium Bromide
CID 6321422
N-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]-2-(2,6-difluorophenyl)imidazo[1,5-b]pyridazin-7-amine
CID 70984064
US10399985, Example 8
CID 118278241
6-[(2r)-2-(3-Fluorophenyl)pyrrolidin-1-Yl]-3-(Pyridin-2-Yl)imidazo[1,2-B]pyridazine
CID 122179546
6-[Difluoro-[6-(4-fluorophenyl)-[1,2,4]triazolo[4,3-b][1,2,4]triazin-3-yl]methyl]quinoline
CID 127045762
2-{3-Phenylpyrazolo[1,5-a]pyrimidin-6-yl}pyridine
CID 5329461
Pyrazolo[1,5-a]pyrimidine, 3-(4-fluorophenyl)-6-(4-pyridinyl)-
CID 5329462
3-(6-{[(1s)-1-(4-Fluorophenyl)ethyl]amino}pyrimidin-4-Yl)pyrazolo[1,5-A]pyrimidin-2-Amine
CID 44159834

Frequently Asked Questions

What is the IUPAC name of 4-[6-[2-(3-fluorophenyl)piperidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]benzonitrile?
The IUPAC name of 4-[6-[2-(3-fluorophenyl)piperidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]benzonitrile (CID 44518384) is 4-[6-[2-(3-fluorophenyl)piperidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]benzonitrile.
What is the SMILES notation for 4-[6-[2-(3-fluorophenyl)piperidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]benzonitrile?
The canonical SMILES for 4-[6-[2-(3-fluorophenyl)piperidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]benzonitrile is N#Cc1ccc(-c2cnc3ccc(N4CCCCC4c4cccc(F)c4)nn23)cc1.
What is the InChIKey of 4-[6-[2-(3-fluorophenyl)piperidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]benzonitrile?
The InChIKey is WJSPZKYFHWWSDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20FN5/c25-20-5-3-4-19(14-20)21-6-1-2-13-29(21)24-12-11-23-27-16-22(30(23)28-24)18-9-7-17(15-26)8-10-18/h3-5,7-12,14,16,21H,1-2,6,13H2.
What are the key properties of 4-[6-[2-(3-fluorophenyl)piperidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]benzonitrile?
4-[6-[2-(3-fluorophenyl)piperidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]benzonitrile has a molecular weight of 397.46 g/mol, XLogP of 5.14, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-[2-(3-fluorophenyl)piperidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]benzonitrile is sourced from PubChem (CID 44518384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).