3-nitro-6-(3-pyridin-4-yloxypyrrolidin-1-yl)imidazo[1,2-b]pyridazine

C15H14N6O3 — CID 133420016

IUPAC3-nitro-6-(3-pyridin-4-yloxypyrrolidin-1-yl)imidazo[1,2-b]pyridazine
SMILESO=[N+]([O-])c1cnc2ccc(N3CCC(Oc4ccncc4)C3)nn12
InChIInChI=1S/C15H14N6O3/c22-21(23)15-9-17-13-1-2-14(18-20(13)15)19-8-5-12(10-19)24-11-3-6-16-7-4-11/h1-4,6-7,9,12H,5,8,10H2
InChIKeyJVVHTSGZZYRPFB-UHFFFAOYSA-N
MW326.32 g/mol
LogP1.69
Rot. Bonds4

About 3-nitro-6-(3-pyridin-4-yloxypyrrolidin-1-yl)imidazo[1,2-b]pyridazine

3-nitro-6-(3-pyridin-4-yloxypyrrolidin-1-yl)imidazo[1,2-b]pyridazine (PubChem CID 133420016) has the molecular formula C15H14N6O3 and a molecular weight of 326.32 g/mol. Its IUPAC name is 3-nitro-6-(3-pyridin-4-yloxypyrrolidin-1-yl)imidazo[1,2-b]pyridazine.

Molecular Properties

Compound Name3-nitro-6-(3-pyridin-4-yloxypyrrolidin-1-yl)imidazo[1,2-b]pyridazine
PubChem CID133420016
Molecular FormulaC15H14N6O3
Molecular Weight326.32 g/mol
Exact Mass326.11
IUPAC Name3-nitro-6-(3-pyridin-4-yloxypyrrolidin-1-yl)imidazo[1,2-b]pyridazine
SMILESO=[N+]([O-])c1cnc2ccc(N3CCC(Oc4ccncc4)C3)nn12
InChIInChI=1S/C15H14N6O3/c22-21(23)15-9-17-13-1-2-14(18-20(13)15)19-8-5-12(10-19)24-11-3-6-16-7-4-11/h1-4,6-7,9,12H,5,8,10H2
InChIKeyJVVHTSGZZYRPFB-UHFFFAOYSA-N
XLogP1.69
TPSA98.69 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.32
LogP ≤ 51.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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-nitro-6-[3-(2-piperidin-1-ylethoxy)pyrrolidin-1-yl]imidazo[1,2-b]pyridazine
CID 133421452
6-nitro-2-(3-pyridin-4-yloxypyrrolidin-1-yl)quinoline
CID 71919769
6-(5-azaspiro[2.5]octan-5-yl)-3-nitroimidazo[1,2-b]pyridazine
CID 133480952
3-nitro-6-[3-[3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]imidazo[1,2-b]pyridazine
CID 133450922
(2R)-1-[4-(3-nitroimidazo[1,2-b]pyridazin-6-yl)piperazin-1-yl]propan-2-ol
CID 133486323
6-[4-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]-3-nitroimidazo[1,2-b]pyridazine
CID 133432489
5-chloro-2-[3-(3-chlorophenoxy)pyrrolidin-1-yl]-3-nitropyridine
CID 133406376
6-(3-pyridin-2-yloxypyrrolidin-1-yl)-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine
CID 72529261
2-[4-(3-nitroimidazo[1,2-b]pyridazin-6-yl)piperazin-1-yl]-1-pyrrolidin-1-ylpropan-1-one
CID 133419569
5,7-difluoro-2-(3-nitroimidazo[1,2-b]pyridazin-6-yl)-3,4-dihydro-1H-isoquinoline
CID 133421030
3-methyl-5-[[4-(3-nitroimidazo[1,2-b]pyridazin-6-yl)piperazin-1-yl]methyl]-1,2-oxazole
CID 71908110
N-[1-(2-methoxyphenyl)pyrrolidin-3-yl]-3-nitroimidazo[1,2-b]pyridazin-6-amine
CID 133419757

Frequently Asked Questions

What is the IUPAC name of 3-nitro-6-(3-pyridin-4-yloxypyrrolidin-1-yl)imidazo[1,2-b]pyridazine?
The IUPAC name of 3-nitro-6-(3-pyridin-4-yloxypyrrolidin-1-yl)imidazo[1,2-b]pyridazine (CID 133420016) is 3-nitro-6-(3-pyridin-4-yloxypyrrolidin-1-yl)imidazo[1,2-b]pyridazine.
What is the SMILES notation for 3-nitro-6-(3-pyridin-4-yloxypyrrolidin-1-yl)imidazo[1,2-b]pyridazine?
The canonical SMILES for 3-nitro-6-(3-pyridin-4-yloxypyrrolidin-1-yl)imidazo[1,2-b]pyridazine is O=[N+]([O-])c1cnc2ccc(N3CCC(Oc4ccncc4)C3)nn12.
What is the InChIKey of 3-nitro-6-(3-pyridin-4-yloxypyrrolidin-1-yl)imidazo[1,2-b]pyridazine?
The InChIKey is JVVHTSGZZYRPFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N6O3/c22-21(23)15-9-17-13-1-2-14(18-20(13)15)19-8-5-12(10-19)24-11-3-6-16-7-4-11/h1-4,6-7,9,12H,5,8,10H2.
What are the key properties of 3-nitro-6-(3-pyridin-4-yloxypyrrolidin-1-yl)imidazo[1,2-b]pyridazine?
3-nitro-6-(3-pyridin-4-yloxypyrrolidin-1-yl)imidazo[1,2-b]pyridazine has a molecular weight of 326.32 g/mol, XLogP of 1.69, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-nitro-6-(3-pyridin-4-yloxypyrrolidin-1-yl)imidazo[1,2-b]pyridazine is sourced from PubChem (CID 133420016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).