6-[4-[(3-fluorophenyl)methyl]piperazin-1-yl]-3-nitroimidazo[1,2-b]pyridazine

C17H17FN6O2 — CID 133420977

IUPAC6-[4-[(3-fluorophenyl)methyl]piperazin-1-yl]-3-nitroimidazo[1,2-b]pyridazine
SMILESO=[N+]([O-])c1cnc2ccc(N3CCN(Cc4cccc(F)c4)CC3)nn12
InChIInChI=1S/C17H17FN6O2/c18-14-3-1-2-13(10-14)12-21-6-8-22(9-7-21)16-5-4-15-19-11-17(24(25)26)23(15)20-16/h1-5,10-11H,6-9,12H2
InChIKeyFOADHIQHTQYWEE-UHFFFAOYSA-N
MW356.36 g/mol
LogP2.10
Rot. Bonds4

About 6-[4-[(3-fluorophenyl)methyl]piperazin-1-yl]-3-nitroimidazo[1,2-b]pyridazine

6-[4-[(3-fluorophenyl)methyl]piperazin-1-yl]-3-nitroimidazo[1,2-b]pyridazine (PubChem CID 133420977) has the molecular formula C17H17FN6O2 and a molecular weight of 356.36 g/mol. Its IUPAC name is 6-[4-[(3-fluorophenyl)methyl]piperazin-1-yl]-3-nitroimidazo[1,2-b]pyridazine.

Molecular Properties

Compound Name6-[4-[(3-fluorophenyl)methyl]piperazin-1-yl]-3-nitroimidazo[1,2-b]pyridazine
PubChem CID133420977
Molecular FormulaC17H17FN6O2
Molecular Weight356.36 g/mol
Exact Mass356.14
IUPAC Name6-[4-[(3-fluorophenyl)methyl]piperazin-1-yl]-3-nitroimidazo[1,2-b]pyridazine
SMILESO=[N+]([O-])c1cnc2ccc(N3CCN(Cc4cccc(F)c4)CC3)nn12
InChIInChI=1S/C17H17FN6O2/c18-14-3-1-2-13(10-14)12-21-6-8-22(9-7-21)16-5-4-15-19-11-17(24(25)26)23(15)20-16/h1-5,10-11H,6-9,12H2
InChIKeyFOADHIQHTQYWEE-UHFFFAOYSA-N
XLogP2.10
TPSA79.81 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.36
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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

3-methyl-5-[[4-(3-nitroimidazo[1,2-b]pyridazin-6-yl)piperazin-1-yl]methyl]-1,2-oxazole
CID 71908110
(2R)-1-[4-(3-nitroimidazo[1,2-b]pyridazin-6-yl)piperazin-1-yl]propan-2-ol
CID 133486323
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]pyridine-3-carboxamide
CID 174565375
4-[4-[(3-fluorophenyl)methyl]piperazin-1-yl]-6-methoxypyrimidine
CID 146074484
6-(5-azaspiro[2.5]octan-5-yl)-3-nitroimidazo[1,2-b]pyridazine
CID 133480952
2-[4-(3-nitroimidazo[1,2-b]pyridazin-6-yl)piperazin-1-yl]-1-pyrrolidin-1-ylpropan-1-one
CID 133419569
1-benzyl-4-[(3-fluorophenyl)methyl]piperazine
CID 764596
1-[6-[4-[(3-fluorophenyl)methyl]piperazin-1-yl]pyrimidin-4-yl]piperidin-4-ol
CID 72934998
5-[4-[(3-fluorophenyl)methyl]piperazin-1-yl]-2-methyl-4-nitroaniline;dihydrochloride
CID 70086691
[4-[(3-fluorophenyl)methyl]piperazin-1-yl]-(1-methyl-4-nitropyrazol-3-yl)methanone
CID 19279160
3-nitro-6-[3-(2-piperidin-1-ylethoxy)pyrrolidin-1-yl]imidazo[1,2-b]pyridazine
CID 133421452

Frequently Asked Questions

What is the IUPAC name of 6-[4-[(3-fluorophenyl)methyl]piperazin-1-yl]-3-nitroimidazo[1,2-b]pyridazine?
The IUPAC name of 6-[4-[(3-fluorophenyl)methyl]piperazin-1-yl]-3-nitroimidazo[1,2-b]pyridazine (CID 133420977) is 6-[4-[(3-fluorophenyl)methyl]piperazin-1-yl]-3-nitroimidazo[1,2-b]pyridazine.
What is the SMILES notation for 6-[4-[(3-fluorophenyl)methyl]piperazin-1-yl]-3-nitroimidazo[1,2-b]pyridazine?
The canonical SMILES for 6-[4-[(3-fluorophenyl)methyl]piperazin-1-yl]-3-nitroimidazo[1,2-b]pyridazine is O=[N+]([O-])c1cnc2ccc(N3CCN(Cc4cccc(F)c4)CC3)nn12.
What is the InChIKey of 6-[4-[(3-fluorophenyl)methyl]piperazin-1-yl]-3-nitroimidazo[1,2-b]pyridazine?
The InChIKey is FOADHIQHTQYWEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FN6O2/c18-14-3-1-2-13(10-14)12-21-6-8-22(9-7-21)16-5-4-15-19-11-17(24(25)26)23(15)20-16/h1-5,10-11H,6-9,12H2.
What are the key properties of 6-[4-[(3-fluorophenyl)methyl]piperazin-1-yl]-3-nitroimidazo[1,2-b]pyridazine?
6-[4-[(3-fluorophenyl)methyl]piperazin-1-yl]-3-nitroimidazo[1,2-b]pyridazine has a molecular weight of 356.36 g/mol, XLogP of 2.10, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-[(3-fluorophenyl)methyl]piperazin-1-yl]-3-nitroimidazo[1,2-b]pyridazine is sourced from PubChem (CID 133420977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).