6-[4-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]-3-nitroimidazo[1,2-b]pyridazine

C17H14FN5O2 — CID 133432489

IUPAC6-[4-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]-3-nitroimidazo[1,2-b]pyridazine
SMILESO=[N+]([O-])c1cnc2ccc(N3CC=C(c4ccc(F)cc4)CC3)nn12
InChIInChI=1S/C17H14FN5O2/c18-14-3-1-12(2-4-14)13-7-9-21(10-8-13)16-6-5-15-19-11-17(23(24)25)22(15)20-16/h1-7,11H,8-10H2
InChIKeyGHWZEEHEYZBGTJ-UHFFFAOYSA-N
MW339.33 g/mol
LogP3.07
Rot. Bonds3

About 6-[4-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]-3-nitroimidazo[1,2-b]pyridazine

6-[4-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]-3-nitroimidazo[1,2-b]pyridazine (PubChem CID 133432489) has the molecular formula C17H14FN5O2 and a molecular weight of 339.33 g/mol. Its IUPAC name is 6-[4-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]-3-nitroimidazo[1,2-b]pyridazine.

Molecular Properties

Compound Name6-[4-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]-3-nitroimidazo[1,2-b]pyridazine
PubChem CID133432489
Molecular FormulaC17H14FN5O2
Molecular Weight339.33 g/mol
Exact Mass339.11
IUPAC Name6-[4-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]-3-nitroimidazo[1,2-b]pyridazine
SMILESO=[N+]([O-])c1cnc2ccc(N3CC=C(c4ccc(F)cc4)CC3)nn12
InChIInChI=1S/C17H14FN5O2/c18-14-3-1-12(2-4-14)13-7-9-21(10-8-13)16-6-5-15-19-11-17(23(24)25)22(15)20-16/h1-7,11H,8-10H2
InChIKeyGHWZEEHEYZBGTJ-UHFFFAOYSA-N
XLogP3.07
TPSA76.57 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.33
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

5,7-difluoro-2-(3-nitroimidazo[1,2-b]pyridazin-6-yl)-3,4-dihydro-1H-isoquinoline
CID 133421030
6-[4-[(3-fluorophenyl)methyl]piperazin-1-yl]-3-nitroimidazo[1,2-b]pyridazine
CID 133420977
6-(5-azaspiro[2.5]octan-5-yl)-3-nitroimidazo[1,2-b]pyridazine
CID 133480952
(2R)-1-[4-(3-nitroimidazo[1,2-b]pyridazin-6-yl)piperazin-1-yl]propan-2-ol
CID 133486323
4-(3-nitroimidazo[1,2-b]pyridazin-6-yl)-1,9-dioxa-4-azaspiro[5.5]undecane
CID 133421191
3-chloro-6-[4-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]pyridazine
CID 6404200
3-methyl-5-[[4-(3-nitroimidazo[1,2-b]pyridazin-6-yl)piperazin-1-yl]methyl]-1,2-oxazole
CID 71908110
2-[4-(3-nitroimidazo[1,2-b]pyridazin-6-yl)piperazin-1-yl]-1-pyrrolidin-1-ylpropan-1-one
CID 133419569
3-nitro-6-(3-pyridin-4-yloxypyrrolidin-1-yl)imidazo[1,2-b]pyridazine
CID 133420016
3-nitro-6-[3-(2-piperidin-1-ylethoxy)pyrrolidin-1-yl]imidazo[1,2-b]pyridazine
CID 133421452
3-nitro-6-[3-[3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]imidazo[1,2-b]pyridazine
CID 133450922
4-(4-fluorophenyl)-1-phenyl-3,6-dihydro-2H-pyridine
CID 22132290

Frequently Asked Questions

What is the IUPAC name of 6-[4-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]-3-nitroimidazo[1,2-b]pyridazine?
The IUPAC name of 6-[4-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]-3-nitroimidazo[1,2-b]pyridazine (CID 133432489) is 6-[4-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]-3-nitroimidazo[1,2-b]pyridazine.
What is the SMILES notation for 6-[4-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]-3-nitroimidazo[1,2-b]pyridazine?
The canonical SMILES for 6-[4-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]-3-nitroimidazo[1,2-b]pyridazine is O=[N+]([O-])c1cnc2ccc(N3CC=C(c4ccc(F)cc4)CC3)nn12.
What is the InChIKey of 6-[4-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]-3-nitroimidazo[1,2-b]pyridazine?
The InChIKey is GHWZEEHEYZBGTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14FN5O2/c18-14-3-1-12(2-4-14)13-7-9-21(10-8-13)16-6-5-15-19-11-17(23(24)25)22(15)20-16/h1-7,11H,8-10H2.
What are the key properties of 6-[4-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]-3-nitroimidazo[1,2-b]pyridazine?
6-[4-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]-3-nitroimidazo[1,2-b]pyridazine has a molecular weight of 339.33 g/mol, XLogP of 3.07, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]-3-nitroimidazo[1,2-b]pyridazine is sourced from PubChem (CID 133432489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).