3-nitro-6-[3-(2-piperidin-1-ylethoxy)pyrrolidin-1-yl]imidazo[1,2-b]pyridazine

C17H24N6O3 — CID 133421452

IUPAC3-nitro-6-[3-(2-piperidin-1-ylethoxy)pyrrolidin-1-yl]imidazo[1,2-b]pyridazine
SMILESO=[N+]([O-])c1cnc2ccc(N3CCC(OCCN4CCCCC4)C3)nn12
InChIInChI=1S/C17H24N6O3/c24-23(25)17-12-18-15-4-5-16(19-22(15)17)21-9-6-14(13-21)26-11-10-20-7-2-1-3-8-20/h4-5,12,14H,1-3,6-11,13H2
InChIKeyOQSQVHAWJJGUKA-UHFFFAOYSA-N
MW360.42 g/mol
LogP1.72
Rot. Bonds6

About 3-nitro-6-[3-(2-piperidin-1-ylethoxy)pyrrolidin-1-yl]imidazo[1,2-b]pyridazine

3-nitro-6-[3-(2-piperidin-1-ylethoxy)pyrrolidin-1-yl]imidazo[1,2-b]pyridazine (PubChem CID 133421452) has the molecular formula C17H24N6O3 and a molecular weight of 360.42 g/mol. Its IUPAC name is 3-nitro-6-[3-(2-piperidin-1-ylethoxy)pyrrolidin-1-yl]imidazo[1,2-b]pyridazine.

Molecular Properties

Compound Name3-nitro-6-[3-(2-piperidin-1-ylethoxy)pyrrolidin-1-yl]imidazo[1,2-b]pyridazine
PubChem CID133421452
Molecular FormulaC17H24N6O3
Molecular Weight360.42 g/mol
Exact Mass360.19
IUPAC Name3-nitro-6-[3-(2-piperidin-1-ylethoxy)pyrrolidin-1-yl]imidazo[1,2-b]pyridazine
SMILESO=[N+]([O-])c1cnc2ccc(N3CCC(OCCN4CCCCC4)C3)nn12
InChIInChI=1S/C17H24N6O3/c24-23(25)17-12-18-15-4-5-16(19-22(15)17)21-9-6-14(13-21)26-11-10-20-7-2-1-3-8-20/h4-5,12,14H,1-3,6-11,13H2
InChIKeyOQSQVHAWJJGUKA-UHFFFAOYSA-N
XLogP1.72
TPSA89.04 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.42
LogP ≤ 51.72
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-pyridin-4-yloxypyrrolidin-1-yl)imidazo[1,2-b]pyridazine
CID 133420016
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
3-nitro-6-[3-[3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]imidazo[1,2-b]pyridazine
CID 133450922
3-methyl-6-[(3R)-3-(2-piperidin-1-ylethoxy)pyrrolidin-1-yl]pyridine-2-carbonitrile
CID 99858274
3-methyl-6-[(3S)-3-(2-piperidin-1-ylethoxy)pyrrolidin-1-yl]pyridine-2-carbonitrile
CID 99858275
2-[4-(3-nitroimidazo[1,2-b]pyridazin-6-yl)piperazin-1-yl]-1-pyrrolidin-1-ylpropan-1-one
CID 133419569
6-[4-[(3-fluorophenyl)methyl]piperazin-1-yl]-3-nitroimidazo[1,2-b]pyridazine
CID 133420977
6-[4-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]-3-nitroimidazo[1,2-b]pyridazine
CID 133432489
3-methyl-5-[[4-(3-nitroimidazo[1,2-b]pyridazin-6-yl)piperazin-1-yl]methyl]-1,2-oxazole
CID 71908110
5,7-difluoro-2-(3-nitroimidazo[1,2-b]pyridazin-6-yl)-3,4-dihydro-1H-isoquinoline
CID 133421030
4-(3-nitroimidazo[1,2-b]pyridazin-6-yl)-1,9-dioxa-4-azaspiro[5.5]undecane
CID 133421191

Frequently Asked Questions

What is the IUPAC name of 3-nitro-6-[3-(2-piperidin-1-ylethoxy)pyrrolidin-1-yl]imidazo[1,2-b]pyridazine?
The IUPAC name of 3-nitro-6-[3-(2-piperidin-1-ylethoxy)pyrrolidin-1-yl]imidazo[1,2-b]pyridazine (CID 133421452) is 3-nitro-6-[3-(2-piperidin-1-ylethoxy)pyrrolidin-1-yl]imidazo[1,2-b]pyridazine.
What is the SMILES notation for 3-nitro-6-[3-(2-piperidin-1-ylethoxy)pyrrolidin-1-yl]imidazo[1,2-b]pyridazine?
The canonical SMILES for 3-nitro-6-[3-(2-piperidin-1-ylethoxy)pyrrolidin-1-yl]imidazo[1,2-b]pyridazine is O=[N+]([O-])c1cnc2ccc(N3CCC(OCCN4CCCCC4)C3)nn12.
What is the InChIKey of 3-nitro-6-[3-(2-piperidin-1-ylethoxy)pyrrolidin-1-yl]imidazo[1,2-b]pyridazine?
The InChIKey is OQSQVHAWJJGUKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N6O3/c24-23(25)17-12-18-15-4-5-16(19-22(15)17)21-9-6-14(13-21)26-11-10-20-7-2-1-3-8-20/h4-5,12,14H,1-3,6-11,13H2.
What are the key properties of 3-nitro-6-[3-(2-piperidin-1-ylethoxy)pyrrolidin-1-yl]imidazo[1,2-b]pyridazine?
3-nitro-6-[3-(2-piperidin-1-ylethoxy)pyrrolidin-1-yl]imidazo[1,2-b]pyridazine has a molecular weight of 360.42 g/mol, XLogP of 1.72, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-nitro-6-[3-(2-piperidin-1-ylethoxy)pyrrolidin-1-yl]imidazo[1,2-b]pyridazine is sourced from PubChem (CID 133421452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).