(7R)-7-[(3-fluoro-2-pyridinyl)oxy]-2-(furan-2-ylmethyl)-5-thia-2-azaspiro[3.4]octane

C16H17FN2O2S — CID 124782365

IUPAC(7R)-7-[(3-fluoro-2-pyridinyl)oxy]-2-(furan-2-ylmethyl)-5-thia-2-azaspiro[3.4]octane
SMILESFc1cccnc1O[C@H]1CSC2(C1)CN(Cc1ccco1)C2
InChIInChI=1S/C16H17FN2O2S/c17-14-4-1-5-18-15(14)21-13-7-16(22-9-13)10-19(11-16)8-12-3-2-6-20-12/h1-6,13H,7-11H2/t13-/m1/s1
InChIKeyGOQOYVOFFQWRHQ-CYBMUJFWSA-N
MW320.39 g/mol
LogP2.95
Rot. Bonds4

About (7R)-7-[(3-fluoro-2-pyridinyl)oxy]-2-(furan-2-ylmethyl)-5-thia-2-azaspiro[3.4]octane

(7R)-7-[(3-fluoro-2-pyridinyl)oxy]-2-(furan-2-ylmethyl)-5-thia-2-azaspiro[3.4]octane (PubChem CID 124782365) has the molecular formula C16H17FN2O2S and a molecular weight of 320.39 g/mol. Its IUPAC name is (7R)-7-[(3-fluoro-2-pyridinyl)oxy]-2-(furan-2-ylmethyl)-5-thia-2-azaspiro[3.4]octane.

Molecular Properties

Compound Name(7R)-7-[(3-fluoro-2-pyridinyl)oxy]-2-(furan-2-ylmethyl)-5-thia-2-azaspiro[3.4]octane
PubChem CID124782365
Molecular FormulaC16H17FN2O2S
Molecular Weight320.39 g/mol
Exact Mass320.10
IUPAC Name(7R)-7-[(3-fluoro-2-pyridinyl)oxy]-2-(furan-2-ylmethyl)-5-thia-2-azaspiro[3.4]octane
SMILESFc1cccnc1O[C@H]1CSC2(C1)CN(Cc1ccco1)C2
InChIInChI=1S/C16H17FN2O2S/c17-14-4-1-5-18-15(14)21-13-7-16(22-9-13)10-19(11-16)8-12-3-2-6-20-12/h1-6,13H,7-11H2/t13-/m1/s1
InChIKeyGOQOYVOFFQWRHQ-CYBMUJFWSA-N
XLogP2.95
TPSA38.50 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.39
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (7R)-7-[(3-fluoro-2-pyridinyl)oxy]-2-(furan-2-ylmethyl)-5-thia-2-azaspiro[3.4]octane with MolForge

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Launch Full Analysis

Related Compounds

(7S)-2-(furan-2-ylmethyl)-7-pyridin-3-yloxy-5-thia-2-azaspiro[3.4]octane
CID 124799097
2-(furan-2-ylmethyl)-7-pyridin-3-yloxy-5-thia-2-azaspiro[3.4]octane
CID 131663105
7-[(3-fluoro-2-pyridinyl)oxy]-2-[(2-methoxy-3-pyridinyl)methyl]-5-thia-2-azaspiro[3.4]octane
CID 131646254
(7R)-7-[(3-fluoro-2-pyridinyl)oxy]-2-[(1-propan-2-ylpyrazol-4-yl)methyl]-5-thia-2-azaspiro[3.4]octane
CID 124805015
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
2-(furan-2-ylmethyl)-7-(oxan-4-ylmethoxy)-5-thia-2-azaspiro[3.4]octane
CID 131677492
7-[(3-fluoro-2-pyridinyl)oxy]-5-thia-2-azaspiro[3.4]octane
CID 131677378
[(7S)-7-[(3-fluoro-2-pyridinyl)oxy]-5-thia-2-azaspiro[3.4]octan-2-yl]-(2-methylfuran-3-yl)methanone
CID 124807351
7-[(3-fluoro-2-pyridinyl)oxy]-2-[(4-methyl-1,3-thiazol-5-yl)methyl]-5-thia-2-azaspiro[3.4]octane;2,2,2-trifluoroacetic acid
CID 155836903
7-[(3-fluoro-2-pyridinyl)oxy]-2-[(4-methyl-1,3-thiazol-2-yl)methyl]-5-thia-2-azaspiro[3.4]octane;bis(2,2,2-trifluoroacetic acid)
CID 155844961
(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

Frequently Asked Questions

What is the IUPAC name of (7R)-7-[(3-fluoro-2-pyridinyl)oxy]-2-(furan-2-ylmethyl)-5-thia-2-azaspiro[3.4]octane?
The IUPAC name of (7R)-7-[(3-fluoro-2-pyridinyl)oxy]-2-(furan-2-ylmethyl)-5-thia-2-azaspiro[3.4]octane (CID 124782365) is (7R)-7-[(3-fluoro-2-pyridinyl)oxy]-2-(furan-2-ylmethyl)-5-thia-2-azaspiro[3.4]octane.
What is the SMILES notation for (7R)-7-[(3-fluoro-2-pyridinyl)oxy]-2-(furan-2-ylmethyl)-5-thia-2-azaspiro[3.4]octane?
The canonical SMILES for (7R)-7-[(3-fluoro-2-pyridinyl)oxy]-2-(furan-2-ylmethyl)-5-thia-2-azaspiro[3.4]octane is Fc1cccnc1O[C@H]1CSC2(C1)CN(Cc1ccco1)C2.
What is the InChIKey of (7R)-7-[(3-fluoro-2-pyridinyl)oxy]-2-(furan-2-ylmethyl)-5-thia-2-azaspiro[3.4]octane?
The InChIKey is GOQOYVOFFQWRHQ-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H17FN2O2S/c17-14-4-1-5-18-15(14)21-13-7-16(22-9-13)10-19(11-16)8-12-3-2-6-20-12/h1-6,13H,7-11H2/t13-/m1/s1.
What are the key properties of (7R)-7-[(3-fluoro-2-pyridinyl)oxy]-2-(furan-2-ylmethyl)-5-thia-2-azaspiro[3.4]octane?
(7R)-7-[(3-fluoro-2-pyridinyl)oxy]-2-(furan-2-ylmethyl)-5-thia-2-azaspiro[3.4]octane has a molecular weight of 320.39 g/mol, XLogP of 2.95, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (7R)-7-[(3-fluoro-2-pyridinyl)oxy]-2-(furan-2-ylmethyl)-5-thia-2-azaspiro[3.4]octane is sourced from PubChem (CID 124782365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).