(8S)-2-(6-methoxypyrimidin-4-yl)-8-(pyridin-4-ylmethoxy)-5-oxa-2-azaspiro[3.5]nonane

C18H22N4O3 — CID 124799601

IUPAC(8S)-2-(6-methoxypyrimidin-4-yl)-8-(pyridin-4-ylmethoxy)-5-oxa-2-azaspiro[3.5]nonane
SMILESCOc1cc(N2CC3(C[C@@H](OCc4ccncc4)CCO3)C2)ncn1
InChIInChI=1S/C18H22N4O3/c1-23-17-8-16(20-13-21-17)22-11-18(12-22)9-15(4-7-25-18)24-10-14-2-5-19-6-3-14/h2-3,5-6,8,13,15H,4,7,9-12H2,1H3/t15-/m0/s1
InChIKeyZNPHKHPFSOXIGI-HNNXBMFYSA-N
MW342.40 g/mol
LogP1.83
Rot. Bonds5

About (8S)-2-(6-methoxypyrimidin-4-yl)-8-(pyridin-4-ylmethoxy)-5-oxa-2-azaspiro[3.5]nonane

(8S)-2-(6-methoxypyrimidin-4-yl)-8-(pyridin-4-ylmethoxy)-5-oxa-2-azaspiro[3.5]nonane (PubChem CID 124799601) has the molecular formula C18H22N4O3 and a molecular weight of 342.40 g/mol. Its IUPAC name is (8S)-2-(6-methoxypyrimidin-4-yl)-8-(pyridin-4-ylmethoxy)-5-oxa-2-azaspiro[3.5]nonane.

Molecular Properties

Compound Name(8S)-2-(6-methoxypyrimidin-4-yl)-8-(pyridin-4-ylmethoxy)-5-oxa-2-azaspiro[3.5]nonane
PubChem CID124799601
Molecular FormulaC18H22N4O3
Molecular Weight342.40 g/mol
Exact Mass342.17
IUPAC Name(8S)-2-(6-methoxypyrimidin-4-yl)-8-(pyridin-4-ylmethoxy)-5-oxa-2-azaspiro[3.5]nonane
SMILESCOc1cc(N2CC3(C[C@@H](OCc4ccncc4)CCO3)C2)ncn1
InChIInChI=1S/C18H22N4O3/c1-23-17-8-16(20-13-21-17)22-11-18(12-22)9-15(4-7-25-18)24-10-14-2-5-19-6-3-14/h2-3,5-6,8,13,15H,4,7,9-12H2,1H3/t15-/m0/s1
InChIKeyZNPHKHPFSOXIGI-HNNXBMFYSA-N
XLogP1.83
TPSA69.60 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 51.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

2-(6-methoxypyrimidin-4-yl)-8-(pyridin-4-ylmethoxy)-5-oxa-2-azaspiro[3.5]nonane;bis(2,2,2-trifluoroacetic acid)
CID 155863822
(8S)-2-(5-methyl-1,3,4-thiadiazol-2-yl)-8-(pyridin-4-ylmethoxy)-5-oxa-2-azaspiro[3.5]nonane
CID 124806524
8-ethoxy-2-(6-methoxypyrimidin-4-yl)-5-oxa-2-azaspiro[3.5]nonane;2,2,2-trifluoroacetic acid
CID 155850741
(3,5-dimethylphenyl)-[(8R)-8-(pyridin-4-ylmethoxy)-5-oxa-2-azaspiro[3.5]nonan-2-yl]methanone
CID 124793361
[(8S)-8-(pyridin-4-ylmethoxy)-5-oxa-2-azaspiro[3.5]nonan-2-yl]-pyrimidin-4-ylmethanone
CID 124796510
(8S)-2-(6-methoxypyrimidin-4-yl)-8-(2-pyridin-2-yloxyethyl)-5-oxa-2-azaspiro[3.5]nonane
CID 124795166
(3-methylphenyl)-[8-(pyridin-4-ylmethoxy)-5-oxa-2-azaspiro[3.5]nonan-2-yl]methanone
CID 131692648
(8R)-2-[(1-methylpyrazol-4-yl)methyl]-8-(pyridin-4-ylmethoxy)-5-oxa-2-azaspiro[3.5]nonane
CID 124815516
(8S)-2-[(1-methylpyrazol-4-yl)methyl]-8-(pyridin-4-ylmethoxy)-5-oxa-2-azaspiro[3.5]nonane
CID 124815514
4-methyl-1-[8-(pyridin-4-ylmethoxy)-5-oxa-2-azaspiro[3.5]nonan-2-yl]pentan-1-one
CID 131692918
(3,5-dimethylphenyl)-[8-(pyridin-4-ylmethoxy)-5-oxa-2-azaspiro[3.5]nonan-2-yl]methanone;2,2,2-trifluoroacetic acid
CID 155859282
imidazo[1,2-a]pyridin-3-yl-[8-(pyridin-4-ylmethoxy)-5-oxa-2-azaspiro[3.5]nonan-2-yl]methanone
CID 131693115

Frequently Asked Questions

What is the IUPAC name of (8S)-2-(6-methoxypyrimidin-4-yl)-8-(pyridin-4-ylmethoxy)-5-oxa-2-azaspiro[3.5]nonane?
The IUPAC name of (8S)-2-(6-methoxypyrimidin-4-yl)-8-(pyridin-4-ylmethoxy)-5-oxa-2-azaspiro[3.5]nonane (CID 124799601) is (8S)-2-(6-methoxypyrimidin-4-yl)-8-(pyridin-4-ylmethoxy)-5-oxa-2-azaspiro[3.5]nonane.
What is the SMILES notation for (8S)-2-(6-methoxypyrimidin-4-yl)-8-(pyridin-4-ylmethoxy)-5-oxa-2-azaspiro[3.5]nonane?
The canonical SMILES for (8S)-2-(6-methoxypyrimidin-4-yl)-8-(pyridin-4-ylmethoxy)-5-oxa-2-azaspiro[3.5]nonane is COc1cc(N2CC3(C[C@@H](OCc4ccncc4)CCO3)C2)ncn1.
What is the InChIKey of (8S)-2-(6-methoxypyrimidin-4-yl)-8-(pyridin-4-ylmethoxy)-5-oxa-2-azaspiro[3.5]nonane?
The InChIKey is ZNPHKHPFSOXIGI-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H22N4O3/c1-23-17-8-16(20-13-21-17)22-11-18(12-22)9-15(4-7-25-18)24-10-14-2-5-19-6-3-14/h2-3,5-6,8,13,15H,4,7,9-12H2,1H3/t15-/m0/s1.
What are the key properties of (8S)-2-(6-methoxypyrimidin-4-yl)-8-(pyridin-4-ylmethoxy)-5-oxa-2-azaspiro[3.5]nonane?
(8S)-2-(6-methoxypyrimidin-4-yl)-8-(pyridin-4-ylmethoxy)-5-oxa-2-azaspiro[3.5]nonane has a molecular weight of 342.40 g/mol, XLogP of 1.83, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (8S)-2-(6-methoxypyrimidin-4-yl)-8-(pyridin-4-ylmethoxy)-5-oxa-2-azaspiro[3.5]nonane is sourced from PubChem (CID 124799601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).