8-[(3-fluoro-2-pyridinyl)oxy]-2-(5-fluoropyrimidin-2-yl)-5-oxa-2-azaspiro[3.5]nonane

C16H16F2N4O2 — CID 131663766

IUPAC8-[(3-fluoro-2-pyridinyl)oxy]-2-(5-fluoropyrimidin-2-yl)-5-oxa-2-azaspiro[3.5]nonane
SMILESFc1cnc(N2CC3(CC(Oc4ncccc4F)CCO3)C2)nc1
InChIInChI=1S/C16H16F2N4O2/c17-11-7-20-15(21-8-11)22-9-16(10-22)6-12(3-5-23-16)24-14-13(18)2-1-4-19-14/h1-2,4,7-8,12H,3,5-6,9-10H2
InChIKeyVACZNJPRKLEHQT-UHFFFAOYSA-N
MW334.33 g/mol
LogP1.97
Rot. Bonds3

About 8-[(3-fluoro-2-pyridinyl)oxy]-2-(5-fluoropyrimidin-2-yl)-5-oxa-2-azaspiro[3.5]nonane

8-[(3-fluoro-2-pyridinyl)oxy]-2-(5-fluoropyrimidin-2-yl)-5-oxa-2-azaspiro[3.5]nonane (PubChem CID 131663766) has the molecular formula C16H16F2N4O2 and a molecular weight of 334.33 g/mol. Its IUPAC name is 8-[(3-fluoro-2-pyridinyl)oxy]-2-(5-fluoropyrimidin-2-yl)-5-oxa-2-azaspiro[3.5]nonane.

Molecular Properties

Compound Name8-[(3-fluoro-2-pyridinyl)oxy]-2-(5-fluoropyrimidin-2-yl)-5-oxa-2-azaspiro[3.5]nonane
PubChem CID131663766
Molecular FormulaC16H16F2N4O2
Molecular Weight334.33 g/mol
Exact Mass334.12
IUPAC Name8-[(3-fluoro-2-pyridinyl)oxy]-2-(5-fluoropyrimidin-2-yl)-5-oxa-2-azaspiro[3.5]nonane
SMILESFc1cnc(N2CC3(CC(Oc4ncccc4F)CCO3)C2)nc1
InChIInChI=1S/C16H16F2N4O2/c17-11-7-20-15(21-8-11)22-9-16(10-22)6-12(3-5-23-16)24-14-13(18)2-1-4-19-14/h1-2,4,7-8,12H,3,5-6,9-10H2
InChIKeyVACZNJPRKLEHQT-UHFFFAOYSA-N
XLogP1.97
TPSA60.37 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.33
LogP ≤ 51.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 8-[(3-fluoro-2-pyridinyl)oxy]-2-(5-fluoropyrimidin-2-yl)-5-oxa-2-azaspiro[3.5]nonane with MolForge

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Related Compounds

2-benzyl-8-[(3-fluoro-2-pyridinyl)oxy]-5-oxa-2-azaspiro[3.5]nonane
CID 131653629
2-(5-fluoropyrimidin-2-yl)-8-pyrimidin-2-yloxy-5-oxa-2-azaspiro[3.5]nonane;2,2,2-trifluoroacetic acid
CID 155844367
[(8S)-8-[(3-fluoro-2-pyridinyl)oxy]-5-oxa-2-azaspiro[3.5]nonan-2-yl]-pyridazin-4-ylmethanone
CID 124792892
1-[8-[(3-fluoro-2-pyridinyl)oxy]-5-oxa-2-azaspiro[3.5]nonan-2-yl]-2-methylpropan-1-one
CID 131695272
[8-[(3-fluoro-2-pyridinyl)oxy]-5-oxa-2-azaspiro[3.5]nonan-2-yl]-(1,2-oxazol-4-yl)methanone
CID 133142243
1-[8-[(3-fluoro-2-pyridinyl)oxy]-5-oxa-2-azaspiro[3.5]nonan-2-yl]-3-methylbutan-1-one
CID 131692833
(3R,5S)-3-[(3-fluoro-2-pyridinyl)oxy]-9-(5-fluoropyrimidin-2-yl)-1-oxa-9-azaspiro[4.5]decane;bis(2,2,2-trifluoroacetic acid)
CID 155824461
[8-[(3-fluoro-2-pyridinyl)oxy]-5-oxa-2-azaspiro[3.5]nonan-2-yl]-(2-methylcyclopropyl)methanone;2,2,2-trifluoroacetic acid
CID 155865110
[8-[(3-fluoro-2-pyridinyl)oxy]-5-oxa-2-azaspiro[3.5]nonan-2-yl]-pyrrolidin-1-ylmethanone;2,2,2-trifluoroacetic acid
CID 155823619
1-[8-[(3-fluoro-2-pyridinyl)oxy]-5-oxa-2-azaspiro[3.5]nonan-2-yl]-2-(2-methylphenyl)ethanone
CID 131649503
(8R)-8-pyrazin-2-yloxy-2-pyrimidin-2-yl-5-oxa-2-azaspiro[3.5]nonane
CID 124911109
8-[(3-fluoro-2-pyridinyl)oxy]-2-(furan-2-ylmethyl)-5-oxa-2-azaspiro[3.5]nonane;bis(2,2,2-trifluoroacetic acid)
CID 155845906

Frequently Asked Questions

What is the IUPAC name of 8-[(3-fluoro-2-pyridinyl)oxy]-2-(5-fluoropyrimidin-2-yl)-5-oxa-2-azaspiro[3.5]nonane?
The IUPAC name of 8-[(3-fluoro-2-pyridinyl)oxy]-2-(5-fluoropyrimidin-2-yl)-5-oxa-2-azaspiro[3.5]nonane (CID 131663766) is 8-[(3-fluoro-2-pyridinyl)oxy]-2-(5-fluoropyrimidin-2-yl)-5-oxa-2-azaspiro[3.5]nonane.
What is the SMILES notation for 8-[(3-fluoro-2-pyridinyl)oxy]-2-(5-fluoropyrimidin-2-yl)-5-oxa-2-azaspiro[3.5]nonane?
The canonical SMILES for 8-[(3-fluoro-2-pyridinyl)oxy]-2-(5-fluoropyrimidin-2-yl)-5-oxa-2-azaspiro[3.5]nonane is Fc1cnc(N2CC3(CC(Oc4ncccc4F)CCO3)C2)nc1.
What is the InChIKey of 8-[(3-fluoro-2-pyridinyl)oxy]-2-(5-fluoropyrimidin-2-yl)-5-oxa-2-azaspiro[3.5]nonane?
The InChIKey is VACZNJPRKLEHQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F2N4O2/c17-11-7-20-15(21-8-11)22-9-16(10-22)6-12(3-5-23-16)24-14-13(18)2-1-4-19-14/h1-2,4,7-8,12H,3,5-6,9-10H2.
What are the key properties of 8-[(3-fluoro-2-pyridinyl)oxy]-2-(5-fluoropyrimidin-2-yl)-5-oxa-2-azaspiro[3.5]nonane?
8-[(3-fluoro-2-pyridinyl)oxy]-2-(5-fluoropyrimidin-2-yl)-5-oxa-2-azaspiro[3.5]nonane has a molecular weight of 334.33 g/mol, XLogP of 1.97, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(3-fluoro-2-pyridinyl)oxy]-2-(5-fluoropyrimidin-2-yl)-5-oxa-2-azaspiro[3.5]nonane is sourced from PubChem (CID 131663766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).