(3R,5S)-3-[(3-fluoro-2-pyridinyl)oxy]-9-(pyridin-2-ylmethyl)-1-oxa-9-azaspiro[4.5]decane

C19H22FN3O2 — CID 97419621

IUPAC(3R,5S)-3-[(3-fluoro-2-pyridinyl)oxy]-9-(pyridin-2-ylmethyl)-1-oxa-9-azaspiro[4.5]decane
SMILESFc1cccnc1O[C@H]1CO[C@@]2(CCCN(Cc3ccccn3)C2)C1
InChIInChI=1S/C19H22FN3O2/c20-17-6-3-9-22-18(17)25-16-11-19(24-13-16)7-4-10-23(14-19)12-15-5-1-2-8-21-15/h1-3,5-6,8-9,16H,4,7,10-14H2/t16-,19+/m1/s1
InChIKeyWLBNTXBTCFYDNN-APWZRJJASA-N
MW343.40 g/mol
LogP2.82
Rot. Bonds4

About (3R,5S)-3-[(3-fluoro-2-pyridinyl)oxy]-9-(pyridin-2-ylmethyl)-1-oxa-9-azaspiro[4.5]decane

(3R,5S)-3-[(3-fluoro-2-pyridinyl)oxy]-9-(pyridin-2-ylmethyl)-1-oxa-9-azaspiro[4.5]decane (PubChem CID 97419621) has the molecular formula C19H22FN3O2 and a molecular weight of 343.40 g/mol. Its IUPAC name is (3R,5S)-3-[(3-fluoro-2-pyridinyl)oxy]-9-(pyridin-2-ylmethyl)-1-oxa-9-azaspiro[4.5]decane.

Molecular Properties

Compound Name(3R,5S)-3-[(3-fluoro-2-pyridinyl)oxy]-9-(pyridin-2-ylmethyl)-1-oxa-9-azaspiro[4.5]decane
PubChem CID97419621
Molecular FormulaC19H22FN3O2
Molecular Weight343.40 g/mol
Exact Mass343.17
IUPAC Name(3R,5S)-3-[(3-fluoro-2-pyridinyl)oxy]-9-(pyridin-2-ylmethyl)-1-oxa-9-azaspiro[4.5]decane
SMILESFc1cccnc1O[C@H]1CO[C@@]2(CCCN(Cc3ccccn3)C2)C1
InChIInChI=1S/C19H22FN3O2/c20-17-6-3-9-22-18(17)25-16-11-19(24-13-16)7-4-10-23(14-19)12-15-5-1-2-8-21-15/h1-3,5-6,8-9,16H,4,7,10-14H2/t16-,19+/m1/s1
InChIKeyWLBNTXBTCFYDNN-APWZRJJASA-N
XLogP2.82
TPSA47.48 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.40
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(3R,5S)-3-[(3-fluoro-2-pyridinyl)oxy]-9-(1,3-thiazol-2-ylmethyl)-1-oxa-9-azaspiro[4.5]decane
CID 97419620
(3R,5S)-3-[(3-fluoro-2-pyridinyl)oxy]-9-[(5-methyl-1,2-oxazol-3-yl)methyl]-1-oxa-9-azaspiro[4.5]decane;2,2,2-trifluoroacetic acid
CID 171695459
(3R,5S)-3-[(3-fluoro-2-pyridinyl)oxy]-7-(pyridin-3-ylmethyl)-1-oxa-7-azaspiro[4.4]nonane
CID 97420082
(3S,5S)-7-(pyridin-2-ylmethyl)-3-pyridin-2-yloxy-1-oxa-7-azaspiro[4.4]nonane
CID 97419877
(3R,5S)-7-(pyridin-2-ylmethyl)-3-pyridin-2-yloxy-1-oxa-7-azaspiro[4.4]nonane
CID 97420051
[(3S,5S)-3-[(3-fluoro-2-pyridinyl)oxy]-1-oxa-9-azaspiro[4.5]decan-9-yl]-pyrrolidin-1-ylmethanone
CID 97477596
9-(pyridin-2-ylmethyl)-3-(pyrrolidin-1-ylmethyl)-1-oxa-9-azaspiro[4.5]decane
CID 134072573
(3R,5S)-3-(pyridin-2-ylmethoxy)-9-(pyridin-2-ylmethyl)-1-oxa-9-azaspiro[4.5]decane;bis(2,2,2-trifluoroacetic acid)
CID 171694988
(3S)-3-[(3-fluoro-2-pyridinyl)oxy]-8-(pyridin-4-ylmethyl)-1-oxa-8-azaspiro[4.5]decane
CID 97419260
(3S,5S)-7-(pyridin-2-ylmethyl)-3-pyridin-2-yloxy-1-oxa-7-azaspiro[4.4]nonane;2,2,2-trifluoroacetic acid
CID 171696435
(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
(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

Frequently Asked Questions

What is the IUPAC name of (3R,5S)-3-[(3-fluoro-2-pyridinyl)oxy]-9-(pyridin-2-ylmethyl)-1-oxa-9-azaspiro[4.5]decane?
The IUPAC name of (3R,5S)-3-[(3-fluoro-2-pyridinyl)oxy]-9-(pyridin-2-ylmethyl)-1-oxa-9-azaspiro[4.5]decane (CID 97419621) is (3R,5S)-3-[(3-fluoro-2-pyridinyl)oxy]-9-(pyridin-2-ylmethyl)-1-oxa-9-azaspiro[4.5]decane.
What is the SMILES notation for (3R,5S)-3-[(3-fluoro-2-pyridinyl)oxy]-9-(pyridin-2-ylmethyl)-1-oxa-9-azaspiro[4.5]decane?
The canonical SMILES for (3R,5S)-3-[(3-fluoro-2-pyridinyl)oxy]-9-(pyridin-2-ylmethyl)-1-oxa-9-azaspiro[4.5]decane is Fc1cccnc1O[C@H]1CO[C@@]2(CCCN(Cc3ccccn3)C2)C1.
What is the InChIKey of (3R,5S)-3-[(3-fluoro-2-pyridinyl)oxy]-9-(pyridin-2-ylmethyl)-1-oxa-9-azaspiro[4.5]decane?
The InChIKey is WLBNTXBTCFYDNN-APWZRJJASA-N. The full InChI is InChI=1S/C19H22FN3O2/c20-17-6-3-9-22-18(17)25-16-11-19(24-13-16)7-4-10-23(14-19)12-15-5-1-2-8-21-15/h1-3,5-6,8-9,16H,4,7,10-14H2/t16-,19+/m1/s1.
What are the key properties of (3R,5S)-3-[(3-fluoro-2-pyridinyl)oxy]-9-(pyridin-2-ylmethyl)-1-oxa-9-azaspiro[4.5]decane?
(3R,5S)-3-[(3-fluoro-2-pyridinyl)oxy]-9-(pyridin-2-ylmethyl)-1-oxa-9-azaspiro[4.5]decane has a molecular weight of 343.40 g/mol, XLogP of 2.82, 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]-9-(pyridin-2-ylmethyl)-1-oxa-9-azaspiro[4.5]decane is sourced from PubChem (CID 97419621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).