1-pyrrolidin-1-yl-2-[[(8S)-2-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)-5-oxa-2-azaspiro[3.5]nonan-8-yl]oxy]ethanone

C18H24N6O3 — CID 124785948

IUPAC1-pyrrolidin-1-yl-2-[[(8S)-2-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)-5-oxa-2-azaspiro[3.5]nonan-8-yl]oxy]ethanone
SMILESO=C(CO[C@H]1CCOC2(C1)CN(c1ccc3nncn3n1)C2)N1CCCC1
InChIInChI=1S/C18H24N6O3/c25-17(22-6-1-2-7-22)10-26-14-5-8-27-18(9-14)11-23(12-18)16-4-3-15-20-19-13-24(15)21-16/h3-4,13-14H,1-2,5-12H2/t14-/m0/s1
InChIKeyNMLALGGZEQYFNP-AWEZNQCLSA-N
MW372.43 g/mol
LogP0.50
Rot. Bonds4

About 1-pyrrolidin-1-yl-2-[[(8S)-2-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)-5-oxa-2-azaspiro[3.5]nonan-8-yl]oxy]ethanone

1-pyrrolidin-1-yl-2-[[(8S)-2-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)-5-oxa-2-azaspiro[3.5]nonan-8-yl]oxy]ethanone (PubChem CID 124785948) has the molecular formula C18H24N6O3 and a molecular weight of 372.43 g/mol. Its IUPAC name is 1-pyrrolidin-1-yl-2-[[(8S)-2-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)-5-oxa-2-azaspiro[3.5]nonan-8-yl]oxy]ethanone.

Molecular Properties

Compound Name1-pyrrolidin-1-yl-2-[[(8S)-2-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)-5-oxa-2-azaspiro[3.5]nonan-8-yl]oxy]ethanone
PubChem CID124785948
Molecular FormulaC18H24N6O3
Molecular Weight372.43 g/mol
Exact Mass372.19
IUPAC Name1-pyrrolidin-1-yl-2-[[(8S)-2-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)-5-oxa-2-azaspiro[3.5]nonan-8-yl]oxy]ethanone
SMILESO=C(CO[C@H]1CCOC2(C1)CN(c1ccc3nncn3n1)C2)N1CCCC1
InChIInChI=1S/C18H24N6O3/c25-17(22-6-1-2-7-22)10-26-14-5-8-27-18(9-14)11-23(12-18)16-4-3-15-20-19-13-24(15)21-16/h3-4,13-14H,1-2,5-12H2/t14-/m0/s1
InChIKeyNMLALGGZEQYFNP-AWEZNQCLSA-N
XLogP0.50
TPSA85.09 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.43
LogP ≤ 50.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 1-pyrrolidin-1-yl-2-[[(8S)-2-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)-5-oxa-2-azaspiro[3.5]nonan-8-yl]oxy]ethanone with MolForge

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Related Compounds

2-[[2-[6-(dimethylamino)pyrimidin-4-yl]-5-oxa-2-azaspiro[3.5]nonan-8-yl]oxy]-1-pyrrolidin-1-ylethanone
CID 131647628
8-pyridin-2-yloxy-2-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)-5-oxa-2-azaspiro[3.5]nonane;bis(2,2,2-trifluoroacetic acid)
CID 155830645
2-[[(8S)-2-[(4-methylphenyl)methyl]-5-oxa-2-azaspiro[3.5]nonan-8-yl]oxy]-1-pyrrolidin-1-ylethanone
CID 124813090
1-[8-(2-oxo-2-pyrrolidin-1-ylethoxy)-5-oxa-2-azaspiro[3.5]nonan-2-yl]butan-1-one
CID 131692868
2-[[(8S)-2-[(2-chlorophenyl)methyl]-5-oxa-2-azaspiro[3.5]nonan-8-yl]oxy]-1-pyrrolidin-1-ylethanone
CID 124785582
2-[[2-(pyridin-3-ylmethyl)-5-oxa-2-azaspiro[3.5]nonan-8-yl]oxy]-1-pyrrolidin-1-ylethanone
CID 131650208
2-[[2-[(6-methyl-2-pyridinyl)methyl]-5-oxa-2-azaspiro[3.5]nonan-8-yl]oxy]-1-pyrrolidin-1-ylethanone
CID 133145049
2-[[(8R)-2-[(2,5-dimethylpyrazol-3-yl)methyl]-5-oxa-2-azaspiro[3.5]nonan-8-yl]oxy]-1-pyrrolidin-1-ylethanone
CID 124807095
3-[8-(2-oxo-2-pyrrolidin-1-ylethoxy)-5-oxa-2-azaspiro[3.5]nonane-2-carbonyl]benzonitrile
CID 131692647
2-[[2-[(4-methylphenyl)methyl]-5-oxa-2-azaspiro[3.5]nonan-8-yl]oxy]-1-pyrrolidin-1-ylethanone;2,2,2-trifluoroacetic acid
CID 155840227
pyrrolidin-1-yl-[4-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)morpholin-2-yl]methanone
CID 155800406
N-[[(2R)-oxolan-2-yl]methyl]-1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidine-4-carboxamide
CID 29131621

Frequently Asked Questions

What is the IUPAC name of 1-pyrrolidin-1-yl-2-[[(8S)-2-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)-5-oxa-2-azaspiro[3.5]nonan-8-yl]oxy]ethanone?
The IUPAC name of 1-pyrrolidin-1-yl-2-[[(8S)-2-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)-5-oxa-2-azaspiro[3.5]nonan-8-yl]oxy]ethanone (CID 124785948) is 1-pyrrolidin-1-yl-2-[[(8S)-2-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)-5-oxa-2-azaspiro[3.5]nonan-8-yl]oxy]ethanone.
What is the SMILES notation for 1-pyrrolidin-1-yl-2-[[(8S)-2-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)-5-oxa-2-azaspiro[3.5]nonan-8-yl]oxy]ethanone?
The canonical SMILES for 1-pyrrolidin-1-yl-2-[[(8S)-2-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)-5-oxa-2-azaspiro[3.5]nonan-8-yl]oxy]ethanone is O=C(CO[C@H]1CCOC2(C1)CN(c1ccc3nncn3n1)C2)N1CCCC1.
What is the InChIKey of 1-pyrrolidin-1-yl-2-[[(8S)-2-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)-5-oxa-2-azaspiro[3.5]nonan-8-yl]oxy]ethanone?
The InChIKey is NMLALGGZEQYFNP-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H24N6O3/c25-17(22-6-1-2-7-22)10-26-14-5-8-27-18(9-14)11-23(12-18)16-4-3-15-20-19-13-24(15)21-16/h3-4,13-14H,1-2,5-12H2/t14-/m0/s1.
What are the key properties of 1-pyrrolidin-1-yl-2-[[(8S)-2-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)-5-oxa-2-azaspiro[3.5]nonan-8-yl]oxy]ethanone?
1-pyrrolidin-1-yl-2-[[(8S)-2-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)-5-oxa-2-azaspiro[3.5]nonan-8-yl]oxy]ethanone has a molecular weight of 372.43 g/mol, XLogP of 0.50, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pyrrolidin-1-yl-2-[[(8S)-2-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)-5-oxa-2-azaspiro[3.5]nonan-8-yl]oxy]ethanone is sourced from PubChem (CID 124785948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).