(3R,5S)-3-[(3-fluoro-2-pyridinyl)oxy]-7-(pyridin-3-ylmethyl)-1-oxa-7-azaspiro[4.4]nonane

C18H20FN3O2 — CID 97420082

IUPAC(3R,5S)-3-[(3-fluoro-2-pyridinyl)oxy]-7-(pyridin-3-ylmethyl)-1-oxa-7-azaspiro[4.4]nonane
SMILESFc1cccnc1O[C@H]1CO[C@@]2(CCN(Cc3cccnc3)C2)C1
InChIInChI=1S/C18H20FN3O2/c19-16-4-2-7-21-17(16)24-15-9-18(23-12-15)5-8-22(13-18)11-14-3-1-6-20-10-14/h1-4,6-7,10,15H,5,8-9,11-13H2/t15-,18+/m1/s1
InChIKeyHQSNIPDGHLUXBN-QAPCUYQASA-N
MW329.38 g/mol
LogP2.43
Rot. Bonds4

About (3R,5S)-3-[(3-fluoro-2-pyridinyl)oxy]-7-(pyridin-3-ylmethyl)-1-oxa-7-azaspiro[4.4]nonane

(3R,5S)-3-[(3-fluoro-2-pyridinyl)oxy]-7-(pyridin-3-ylmethyl)-1-oxa-7-azaspiro[4.4]nonane (PubChem CID 97420082) has the molecular formula C18H20FN3O2 and a molecular weight of 329.38 g/mol. Its IUPAC name is (3R,5S)-3-[(3-fluoro-2-pyridinyl)oxy]-7-(pyridin-3-ylmethyl)-1-oxa-7-azaspiro[4.4]nonane.

Molecular Properties

Compound Name(3R,5S)-3-[(3-fluoro-2-pyridinyl)oxy]-7-(pyridin-3-ylmethyl)-1-oxa-7-azaspiro[4.4]nonane
PubChem CID97420082
Molecular FormulaC18H20FN3O2
Molecular Weight329.38 g/mol
Exact Mass329.15
IUPAC Name(3R,5S)-3-[(3-fluoro-2-pyridinyl)oxy]-7-(pyridin-3-ylmethyl)-1-oxa-7-azaspiro[4.4]nonane
SMILESFc1cccnc1O[C@H]1CO[C@@]2(CCN(Cc3cccnc3)C2)C1
InChIInChI=1S/C18H20FN3O2/c19-16-4-2-7-21-17(16)24-15-9-18(23-12-15)5-8-22(13-18)11-14-3-1-6-20-10-14/h1-4,6-7,10,15H,5,8-9,11-13H2/t15-,18+/m1/s1
InChIKeyHQSNIPDGHLUXBN-QAPCUYQASA-N
XLogP2.43
TPSA47.48 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.38
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (3R,5S)-3-[(3-fluoro-2-pyridinyl)oxy]-7-(pyridin-3-ylmethyl)-1-oxa-7-azaspiro[4.4]nonane with MolForge

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Related Compounds

(3S)-3-[(3-fluoro-2-pyridinyl)oxy]-8-(pyridin-4-ylmethyl)-1-oxa-8-azaspiro[4.5]decane
CID 97419260
9-(pyridin-3-ylmethyl)-3-pyrimidin-2-yloxy-1-oxa-9-azaspiro[4.5]decane
CID 131660794
(3S)-8-(pyridin-3-ylmethyl)-3-pyridin-2-yloxy-1-oxa-8-azaspiro[4.5]decane
CID 97419188
(3R,5S)-3-[(3-fluoro-2-pyridinyl)oxy]-9-(pyridin-2-ylmethyl)-1-oxa-9-azaspiro[4.5]decane
CID 97419621
(3R,5S)-3-[(3-fluoro-2-pyridinyl)oxy]-7-(thiophen-3-ylmethyl)-1-oxa-7-azaspiro[4.4]nonane;bis(2,2,2-trifluoroacetic acid)
CID 155837869
(3S,5S)-7-(pyridin-3-ylmethyl)-3-pyridin-3-yloxy-1-oxa-7-azaspiro[4.4]nonane;bis(2,2,2-trifluoroacetic acid)
CID 171695613
(3S)-3-[(3-fluoro-2-pyridinyl)oxy]-8-(oxan-4-ylmethyl)-1-oxa-8-azaspiro[4.5]decane
CID 97419274
7-(pyridin-4-ylmethyl)-3-pyrimidin-2-yloxy-1-oxa-7-azaspiro[4.4]nonane
CID 134076700
(3R,5S)-3-[(3-fluoro-2-pyridinyl)oxy]-9-(1,3-thiazol-2-ylmethyl)-1-oxa-9-azaspiro[4.5]decane
CID 97419620
(3S,5S)-3-[(3-fluoro-2-pyridinyl)oxy]-7-(furan-2-ylmethyl)-1-oxa-7-azaspiro[4.4]nonane;bis(2,2,2-trifluoroacetic acid)
CID 155825530
(3R,5S)-3-[(3-fluoro-2-pyridinyl)oxy]-7-(furan-2-ylmethyl)-1-oxa-7-azaspiro[4.4]nonane;bis(2,2,2-trifluoroacetic acid)
CID 155854271
3-(pyridin-3-ylmethoxy)-7-(pyridin-2-ylmethyl)-1-oxa-7-azaspiro[4.4]nonane
CID 134071058

Frequently Asked Questions

What is the IUPAC name of (3R,5S)-3-[(3-fluoro-2-pyridinyl)oxy]-7-(pyridin-3-ylmethyl)-1-oxa-7-azaspiro[4.4]nonane?
The IUPAC name of (3R,5S)-3-[(3-fluoro-2-pyridinyl)oxy]-7-(pyridin-3-ylmethyl)-1-oxa-7-azaspiro[4.4]nonane (CID 97420082) is (3R,5S)-3-[(3-fluoro-2-pyridinyl)oxy]-7-(pyridin-3-ylmethyl)-1-oxa-7-azaspiro[4.4]nonane.
What is the SMILES notation for (3R,5S)-3-[(3-fluoro-2-pyridinyl)oxy]-7-(pyridin-3-ylmethyl)-1-oxa-7-azaspiro[4.4]nonane?
The canonical SMILES for (3R,5S)-3-[(3-fluoro-2-pyridinyl)oxy]-7-(pyridin-3-ylmethyl)-1-oxa-7-azaspiro[4.4]nonane is Fc1cccnc1O[C@H]1CO[C@@]2(CCN(Cc3cccnc3)C2)C1.
What is the InChIKey of (3R,5S)-3-[(3-fluoro-2-pyridinyl)oxy]-7-(pyridin-3-ylmethyl)-1-oxa-7-azaspiro[4.4]nonane?
The InChIKey is HQSNIPDGHLUXBN-QAPCUYQASA-N. The full InChI is InChI=1S/C18H20FN3O2/c19-16-4-2-7-21-17(16)24-15-9-18(23-12-15)5-8-22(13-18)11-14-3-1-6-20-10-14/h1-4,6-7,10,15H,5,8-9,11-13H2/t15-,18+/m1/s1.
What are the key properties of (3R,5S)-3-[(3-fluoro-2-pyridinyl)oxy]-7-(pyridin-3-ylmethyl)-1-oxa-7-azaspiro[4.4]nonane?
(3R,5S)-3-[(3-fluoro-2-pyridinyl)oxy]-7-(pyridin-3-ylmethyl)-1-oxa-7-azaspiro[4.4]nonane has a molecular weight of 329.38 g/mol, XLogP of 2.43, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,5S)-3-[(3-fluoro-2-pyridinyl)oxy]-7-(pyridin-3-ylmethyl)-1-oxa-7-azaspiro[4.4]nonane is sourced from PubChem (CID 97420082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).