(8S)-2-(6-methylpyridazin-3-yl)-8-pyridin-3-yloxy-5-oxa-2-azaspiro[3.5]nonane

C17H20N4O2 — CID 124797999

IUPAC(8S)-2-(6-methylpyridazin-3-yl)-8-pyridin-3-yloxy-5-oxa-2-azaspiro[3.5]nonane
SMILESCc1ccc(N2CC3(C[C@@H](Oc4cccnc4)CCO3)C2)nn1
InChIInChI=1S/C17H20N4O2/c1-13-4-5-16(20-19-13)21-11-17(12-21)9-14(6-8-22-17)23-15-3-2-7-18-10-15/h2-5,7,10,14H,6,8-9,11-12H2,1H3/t14-/m0/s1
InChIKeyJWNHVEGIWWYZEC-AWEZNQCLSA-N
MW312.37 g/mol
LogP2.00
Rot. Bonds3

About (8S)-2-(6-methylpyridazin-3-yl)-8-pyridin-3-yloxy-5-oxa-2-azaspiro[3.5]nonane

(8S)-2-(6-methylpyridazin-3-yl)-8-pyridin-3-yloxy-5-oxa-2-azaspiro[3.5]nonane (PubChem CID 124797999) has the molecular formula C17H20N4O2 and a molecular weight of 312.37 g/mol. Its IUPAC name is (8S)-2-(6-methylpyridazin-3-yl)-8-pyridin-3-yloxy-5-oxa-2-azaspiro[3.5]nonane.

Molecular Properties

Compound Name(8S)-2-(6-methylpyridazin-3-yl)-8-pyridin-3-yloxy-5-oxa-2-azaspiro[3.5]nonane
PubChem CID124797999
Molecular FormulaC17H20N4O2
Molecular Weight312.37 g/mol
Exact Mass312.16
IUPAC Name(8S)-2-(6-methylpyridazin-3-yl)-8-pyridin-3-yloxy-5-oxa-2-azaspiro[3.5]nonane
SMILESCc1ccc(N2CC3(C[C@@H](Oc4cccnc4)CCO3)C2)nn1
InChIInChI=1S/C17H20N4O2/c1-13-4-5-16(20-19-13)21-11-17(12-21)9-14(6-8-22-17)23-15-3-2-7-18-10-15/h2-5,7,10,14H,6,8-9,11-12H2,1H3/t14-/m0/s1
InChIKeyJWNHVEGIWWYZEC-AWEZNQCLSA-N
XLogP2.00
TPSA60.37 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(8S)-2-(6-methylpyridazin-3-yl)-8-pyrimidin-2-yloxy-5-oxa-2-azaspiro[3.5]nonane
CID 124801965
2-(5-methyl-1,3,4-thiadiazol-2-yl)-8-pyridin-3-yloxy-5-oxa-2-azaspiro[3.5]nonane
CID 131653298
2-(6-methylpyridazin-3-yl)-8-pyrimidin-2-yloxy-5-oxa-2-azaspiro[3.5]nonane;2,2,2-trifluoroacetic acid
CID 155836701
[(8R)-8-pyridin-3-yloxy-5-oxa-2-azaspiro[3.5]nonan-2-yl]-pyrimidin-2-ylmethanone
CID 124791257
(2,5-dimethylfuran-3-yl)-(8-pyridin-3-yloxy-5-oxa-2-azaspiro[3.5]nonan-2-yl)methanone
CID 131660860
1,3-oxazol-4-yl-(8-pyridin-3-yloxy-5-oxa-2-azaspiro[3.5]nonan-2-yl)methanone
CID 131648731
(8S)-2-[(1-propan-2-ylpyrazol-4-yl)methyl]-8-pyridin-3-yloxy-5-oxa-2-azaspiro[3.5]nonane
CID 124809470
(8R)-8-pyridin-3-yloxy-2-(quinolin-2-ylmethyl)-5-oxa-2-azaspiro[3.5]nonane
CID 124827142
(8R)-8-pyrazin-2-yloxy-2-pyrimidin-2-yl-5-oxa-2-azaspiro[3.5]nonane
CID 124911109
(2,5-dimethylfuran-3-yl)-(8-pyridin-3-yloxy-5-oxa-2-azaspiro[3.5]nonan-2-yl)methanone;2,2,2-trifluoroacetic acid
CID 155843658
3-(2-methylphenyl)-1-(8-pyridin-3-yloxy-5-oxa-2-azaspiro[3.5]nonan-2-yl)propan-1-one;2,2,2-trifluoroacetic acid
CID 155832211
(3R,5R)-7-pyrazin-2-yl-3-pyridin-3-yloxy-1-oxa-7-azaspiro[4.4]nonane
CID 97394379

Frequently Asked Questions

What is the IUPAC name of (8S)-2-(6-methylpyridazin-3-yl)-8-pyridin-3-yloxy-5-oxa-2-azaspiro[3.5]nonane?
The IUPAC name of (8S)-2-(6-methylpyridazin-3-yl)-8-pyridin-3-yloxy-5-oxa-2-azaspiro[3.5]nonane (CID 124797999) is (8S)-2-(6-methylpyridazin-3-yl)-8-pyridin-3-yloxy-5-oxa-2-azaspiro[3.5]nonane.
What is the SMILES notation for (8S)-2-(6-methylpyridazin-3-yl)-8-pyridin-3-yloxy-5-oxa-2-azaspiro[3.5]nonane?
The canonical SMILES for (8S)-2-(6-methylpyridazin-3-yl)-8-pyridin-3-yloxy-5-oxa-2-azaspiro[3.5]nonane is Cc1ccc(N2CC3(C[C@@H](Oc4cccnc4)CCO3)C2)nn1.
What is the InChIKey of (8S)-2-(6-methylpyridazin-3-yl)-8-pyridin-3-yloxy-5-oxa-2-azaspiro[3.5]nonane?
The InChIKey is JWNHVEGIWWYZEC-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H20N4O2/c1-13-4-5-16(20-19-13)21-11-17(12-21)9-14(6-8-22-17)23-15-3-2-7-18-10-15/h2-5,7,10,14H,6,8-9,11-12H2,1H3/t14-/m0/s1.
What are the key properties of (8S)-2-(6-methylpyridazin-3-yl)-8-pyridin-3-yloxy-5-oxa-2-azaspiro[3.5]nonane?
(8S)-2-(6-methylpyridazin-3-yl)-8-pyridin-3-yloxy-5-oxa-2-azaspiro[3.5]nonane has a molecular weight of 312.37 g/mol, XLogP of 2.00, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (8S)-2-(6-methylpyridazin-3-yl)-8-pyridin-3-yloxy-5-oxa-2-azaspiro[3.5]nonane is sourced from PubChem (CID 124797999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).