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

C17H19FN2O3 — CID 97419901

IUPAC(3S,5S)-3-[(3-fluoro-2-pyridinyl)oxy]-7-(furan-2-ylmethyl)-1-oxa-7-azaspiro[4.4]nonane
SMILESFc1cccnc1O[C@@H]1CO[C@@]2(CCN(Cc3ccco3)C2)C1
InChIInChI=1S/C17H19FN2O3/c18-15-4-1-6-19-16(15)23-14-9-17(22-11-14)5-7-20(12-17)10-13-3-2-8-21-13/h1-4,6,8,14H,5,7,9-12H2/t14-,17-/m0/s1
InChIKeyIJBPYENBNYZNST-YOEHRIQHSA-N
MW318.35 g/mol
LogP2.63
Rot. Bonds4

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

(3S,5S)-3-[(3-fluoro-2-pyridinyl)oxy]-7-(furan-2-ylmethyl)-1-oxa-7-azaspiro[4.4]nonane (PubChem CID 97419901) has the molecular formula C17H19FN2O3 and a molecular weight of 318.35 g/mol. Its IUPAC name is (3S,5S)-3-[(3-fluoro-2-pyridinyl)oxy]-7-(furan-2-ylmethyl)-1-oxa-7-azaspiro[4.4]nonane.

Molecular Properties

Compound Name(3S,5S)-3-[(3-fluoro-2-pyridinyl)oxy]-7-(furan-2-ylmethyl)-1-oxa-7-azaspiro[4.4]nonane
PubChem CID97419901
Molecular FormulaC17H19FN2O3
Molecular Weight318.35 g/mol
Exact Mass318.14
IUPAC Name(3S,5S)-3-[(3-fluoro-2-pyridinyl)oxy]-7-(furan-2-ylmethyl)-1-oxa-7-azaspiro[4.4]nonane
SMILESFc1cccnc1O[C@@H]1CO[C@@]2(CCN(Cc3ccco3)C2)C1
InChIInChI=1S/C17H19FN2O3/c18-15-4-1-6-19-16(15)23-14-9-17(22-11-14)5-7-20(12-17)10-13-3-2-8-21-13/h1-4,6,8,14H,5,7,9-12H2/t14-,17-/m0/s1
InChIKeyIJBPYENBNYZNST-YOEHRIQHSA-N
XLogP2.63
TPSA47.73 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.35
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(NE)-N-[[1-(furan-2-ylmethyl)pyridin-1-ium-3-yl]methylidene]hydroxylamine chloride
CID 45484577
(3R,3aS,7aR)-3-[(3-fluoro-2-pyridinyl)oxy]-1-(furan-2-ylmethyl)-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrole
CID 97366382
(3S,3aR,6aS)-1-(furan-3-ylmethyl)-3-(pyridin-2-ylmethoxy)-2,3,3a,4,6,6a-hexahydrofuro[3,4-b]pyrrole
CID 97378630
(3S,3aR,6aS)-1-[(5-methylfuran-2-yl)methyl]-3-(pyridin-2-ylmethoxy)-2,3,3a,4,6,6a-hexahydrofuro[3,4-b]pyrrole
CID 97378634
1-[(3S,3aR,7aR)-5-(pyridin-2-ylmethyl)-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-3-yl]-N-(furan-2-ylmethyl)-N-methylmethanamine
CID 97379040
1-[(3S,3aR,7aR)-5-(pyridin-3-ylmethyl)-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-3-yl]-N-(furan-2-ylmethyl)-N-methylmethanamine
CID 97379041
[(3S,3aS,7aR)-3-(pyridin-3-ylmethoxy)-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrol-1-yl]-(3-methylfuran-2-yl)methanone
CID 97387812
[(3S,5S)-3-[(3-fluoro-2-pyridinyl)oxy]-1-oxa-9-azaspiro[4.5]decan-9-yl]-(furan-2-yl)methanone
CID 97419792
(3S,5S)-7-[(5-methylfuran-2-yl)methyl]-3-(pyridin-2-ylmethoxy)-1-oxa-7-azaspiro[4.4]nonane
CID 97419865
(3R,5S)-7-(furan-3-ylmethyl)-3-(pyridin-3-ylmethoxy)-1-oxa-7-azaspiro[4.4]nonane
CID 97419991
(3R,5S)-7-(furan-3-ylmethyl)-3-(pyridin-2-ylmethoxy)-1-oxa-7-azaspiro[4.4]nonane
CID 97420038
(4R,4aS,7aS)-6-(furan-2-ylmethyl)-4-methoxy-1-(pyridin-2-ylmethyl)-3,4,4a,5,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridine
CID 97420826

Frequently Asked Questions

What is the IUPAC name of (3S,5S)-3-[(3-fluoro-2-pyridinyl)oxy]-7-(furan-2-ylmethyl)-1-oxa-7-azaspiro[4.4]nonane?
The IUPAC name of (3S,5S)-3-[(3-fluoro-2-pyridinyl)oxy]-7-(furan-2-ylmethyl)-1-oxa-7-azaspiro[4.4]nonane (CID 97419901) is (3S,5S)-3-[(3-fluoro-2-pyridinyl)oxy]-7-(furan-2-ylmethyl)-1-oxa-7-azaspiro[4.4]nonane.
What is the SMILES notation for (3S,5S)-3-[(3-fluoro-2-pyridinyl)oxy]-7-(furan-2-ylmethyl)-1-oxa-7-azaspiro[4.4]nonane?
The canonical SMILES for (3S,5S)-3-[(3-fluoro-2-pyridinyl)oxy]-7-(furan-2-ylmethyl)-1-oxa-7-azaspiro[4.4]nonane is Fc1cccnc1O[C@@H]1CO[C@@]2(CCN(Cc3ccco3)C2)C1.
What is the InChIKey of (3S,5S)-3-[(3-fluoro-2-pyridinyl)oxy]-7-(furan-2-ylmethyl)-1-oxa-7-azaspiro[4.4]nonane?
The InChIKey is IJBPYENBNYZNST-YOEHRIQHSA-N. The full InChI is InChI=1S/C17H19FN2O3/c18-15-4-1-6-19-16(15)23-14-9-17(22-11-14)5-7-20(12-17)10-13-3-2-8-21-13/h1-4,6,8,14H,5,7,9-12H2/t14-,17-/m0/s1.
What are the key properties of (3S,5S)-3-[(3-fluoro-2-pyridinyl)oxy]-7-(furan-2-ylmethyl)-1-oxa-7-azaspiro[4.4]nonane?
(3S,5S)-3-[(3-fluoro-2-pyridinyl)oxy]-7-(furan-2-ylmethyl)-1-oxa-7-azaspiro[4.4]nonane has a molecular weight of 318.35 g/mol, XLogP of 2.63, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,5S)-3-[(3-fluoro-2-pyridinyl)oxy]-7-(furan-2-ylmethyl)-1-oxa-7-azaspiro[4.4]nonane is sourced from PubChem (CID 97419901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).