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)

C21H20F6N6O6 — CID 155830645

IUPAC8-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)
SMILESO=C(O)C(F)(F)F.O=C(O)C(F)(F)F.c1ccc(OC2CCOC3(C2)CN(c2ccc4nncn4n2)C3)nc1
InChIInChI=1S/C17H18N6O2.2C2HF3O2/c1-2-7-18-16(3-1)25-13-6-8-24-17(9-13)10-22(11-17)15-5-4-14-20-19-12-23(14)21-15;2*3-2(4,5)1(6)7/h1-5,7,12-13H,6,8-11H2;2*(H,6,7)
InChIKeyRHGSKMGUXRFKTR-UHFFFAOYSA-N
MW566.42 g/mol
LogP2.60
Rot. Bonds3

About 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)

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) (PubChem CID 155830645) has the molecular formula C21H20F6N6O6 and a molecular weight of 566.42 g/mol. Its IUPAC name is 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).

Molecular Properties

Compound Name8-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)
PubChem CID155830645
Molecular FormulaC21H20F6N6O6
Molecular Weight566.42 g/mol
Exact Mass566.13
IUPAC Name8-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)
SMILESO=C(O)C(F)(F)F.O=C(O)C(F)(F)F.c1ccc(OC2CCOC3(C2)CN(c2ccc4nncn4n2)C3)nc1
InChIInChI=1S/C17H18N6O2.2C2HF3O2/c1-2-7-18-16(3-1)25-13-6-8-24-17(9-13)10-22(11-17)15-5-4-14-20-19-12-23(14)21-15;2*3-2(4,5)1(6)7/h1-5,7,12-13H,6,8-11H2;2*(H,6,7)
InChIKeyRHGSKMGUXRFKTR-UHFFFAOYSA-N
XLogP2.60
TPSA152.27 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds3
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500566.42
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Analyze 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) with MolForge

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Launch Full Analysis

Related Compounds

2-cyclopropyl-1-(8-pyridin-2-yloxy-5-oxa-2-azaspiro[3.5]nonan-2-yl)ethanone;2,2,2-trifluoroacetic acid
CID 155869247
(8-pyridin-2-yloxy-5-oxa-2-azaspiro[3.5]nonan-2-yl)-(thian-4-yl)methanone;2,2,2-trifluoroacetic acid
CID 155839005
1-(8-pyridin-2-yloxy-5-oxa-2-azaspiro[3.5]nonan-2-yl)butan-1-one;2,2,2-trifluoroacetic acid
CID 155868688
2-propylsulfonyl-8-pyridin-2-yloxy-5-oxa-2-azaspiro[3.5]nonane;2,2,2-trifluoroacetic acid
CID 155865494
2-(6-methylpyridazin-3-yl)-8-pyrimidin-2-yloxy-5-oxa-2-azaspiro[3.5]nonane;2,2,2-trifluoroacetic acid
CID 155836701
(2-methoxy-3-pyridinyl)-(8-pyridin-2-yloxy-5-oxa-2-azaspiro[3.5]nonan-2-yl)methanone;bis(2,2,2-trifluoroacetic acid)
CID 155827055
2-methyl-8-pyridin-2-yloxy-5-oxa-2-azaspiro[3.5]nonane
CID 131641036
2-[(4-methyl-1,3-thiazol-5-yl)methyl]-8-pyridin-2-yloxy-5-oxa-2-azaspiro[3.5]nonane;bis(2,2,2-trifluoroacetic acid)
CID 155862353
2-[(1-ethylpyrazol-4-yl)methyl]-8-pyridin-2-yloxy-5-oxa-2-azaspiro[3.5]nonane;2,2,2-trifluoroacetic acid
CID 171695335
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
(3-fluorocyclobutyl)-(8-pyridin-2-yloxy-5-oxa-2-azaspiro[3.5]nonan-2-yl)methanone
CID 131692751
cyclopent-3-en-1-yl-[(8S)-8-pyridin-2-yloxy-5-oxa-2-azaspiro[3.5]nonan-2-yl]methanone
CID 124787557

Frequently Asked Questions

What is the IUPAC name of 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)?
The IUPAC name of 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) is 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).
What is the SMILES notation for 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)?
The canonical SMILES for 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) is O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.c1ccc(OC2CCOC3(C2)CN(c2ccc4nncn4n2)C3)nc1.
What is the InChIKey of 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)?
The InChIKey is RHGSKMGUXRFKTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N6O2.2C2HF3O2/c1-2-7-18-16(3-1)25-13-6-8-24-17(9-13)10-22(11-17)15-5-4-14-20-19-12-23(14)21-15;2*3-2(4,5)1(6)7/h1-5,7,12-13H,6,8-11H2;2*(H,6,7).
What are the key properties of 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)?
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) has a molecular weight of 566.42 g/mol, XLogP of 2.60, 3 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 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) is sourced from PubChem (CID 155830645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).