(3S)-5'-morpholin-4-ylspiro[1-azabicyclo[2.2.2]octane-3,2'-3H-furo[2,3-b]pyridine]

C17H23N3O2 — CID 18719784

IUPAC(3S)-5'-morpholin-4-ylspiro[1-azabicyclo[2.2.2]octane-3,2'-3H-furo[2,3-b]pyridine]
SMILESc1nc2c(cc1N1CCOCC1)C[C@]1(CN3CCC1CC3)O2
InChIInChI=1S/C17H23N3O2/c1-3-19-4-2-14(1)17(12-19)10-13-9-15(11-18-16(13)22-17)20-5-7-21-8-6-20/h9,11,14H,1-8,10,12H2/t17-/m1/s1
InChIKeyXBROIQWGIQLJPH-QGZVFWFLSA-N
MW301.39 g/mol
LogP1.32
Rot. Bonds1

About (3S)-5'-morpholin-4-ylspiro[1-azabicyclo[2.2.2]octane-3,2'-3H-furo[2,3-b]pyridine]

(3S)-5'-morpholin-4-ylspiro[1-azabicyclo[2.2.2]octane-3,2'-3H-furo[2,3-b]pyridine] (PubChem CID 18719784) has the molecular formula C17H23N3O2 and a molecular weight of 301.39 g/mol. Its IUPAC name is (3S)-5'-morpholin-4-ylspiro[1-azabicyclo[2.2.2]octane-3,2'-3H-furo[2,3-b]pyridine].

Molecular Properties

Compound Name(3S)-5'-morpholin-4-ylspiro[1-azabicyclo[2.2.2]octane-3,2'-3H-furo[2,3-b]pyridine]
PubChem CID18719784
Molecular FormulaC17H23N3O2
Molecular Weight301.39 g/mol
Exact Mass301.18
IUPAC Name(3S)-5'-morpholin-4-ylspiro[1-azabicyclo[2.2.2]octane-3,2'-3H-furo[2,3-b]pyridine]
SMILESc1nc2c(cc1N1CCOCC1)C[C@]1(CN3CCC1CC3)O2
InChIInChI=1S/C17H23N3O2/c1-3-19-4-2-14(1)17(12-19)10-13-9-15(11-18-16(13)22-17)20-5-7-21-8-6-20/h9,11,14H,1-8,10,12H2/t17-/m1/s1
InChIKeyXBROIQWGIQLJPH-QGZVFWFLSA-N
XLogP1.32
TPSA37.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 51.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (3S)-5'-morpholin-4-ylspiro[1-azabicyclo[2.2.2]octane-3,2'-3H-furo[2,3-b]pyridine] with MolForge

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Related Compounds

(3R)-5'-(5-chlorothiophen-3-yl)spiro[1-azabicyclo[2.2.2]octane-3,2'-3H-furo[2,3-b]pyridine]
CID 10246215
(3R)-5'-(5-chlorothiophen-2-yl)spiro[1-azabicyclo[2.2.2]octane-3,2'-3H-furo[2,3-b]pyridine]
CID 10246214
5'-(2-fluorophenyl)spiro[1-azabicyclo[2.2.2]octane-3,2'-3H-furo[2,3-b]pyridine]
CID 11404096
(3R)-5'-[2-(trifluoromethyl)-1,3-thiazol-5-yl]spiro[1-azabicyclo[2.2.2]octane-3,2'-3H-furo[2,3-b]pyridine]
CID 10215687
N-benzyl-N-(111C)methylspiro[1-azabicyclo[2.2.2]octane-3,2'-3H-furo[2,3-b]pyridine]-5'-amine
CID 11279070
(3R)-5'-furo[3,2-b]pyridin-3-ylspiro[1-azabicyclo[2.2.2]octane-3,2'-3H-furo[2,3-b]pyridine]
CID 11439014
(3R)-N-(3-phenylprop-1-ynyl)spiro[1-azabicyclo[2.2.2]octane-3,2'-3H-furo[2,3-b]pyridine]-5'-amine
CID 23595086
N-(5-morpholin-4-yl-2-pyridinyl)pyrrolidine-3-carboxamide
CID 119842040
2-chloro-5-morpholin-4-ylpyridin-3-amine
CID 59631039
2-phenylspiro[1,2-oxazolidine-5,3'-1-azabicyclo[2.2.2]octane]-3-one
CID 24999434
7'-bromo-5'-(3H-indol-5-yl)spiro[1-azabicyclo[2.2.2]octane-3,2'-3H-1-benzofuran]
CID 11246835
4-(2-chloro-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-7-yl)morpholine
CID 168922552

Frequently Asked Questions

What is the IUPAC name of (3S)-5'-morpholin-4-ylspiro[1-azabicyclo[2.2.2]octane-3,2'-3H-furo[2,3-b]pyridine]?
The IUPAC name of (3S)-5'-morpholin-4-ylspiro[1-azabicyclo[2.2.2]octane-3,2'-3H-furo[2,3-b]pyridine] (CID 18719784) is (3S)-5'-morpholin-4-ylspiro[1-azabicyclo[2.2.2]octane-3,2'-3H-furo[2,3-b]pyridine].
What is the SMILES notation for (3S)-5'-morpholin-4-ylspiro[1-azabicyclo[2.2.2]octane-3,2'-3H-furo[2,3-b]pyridine]?
The canonical SMILES for (3S)-5'-morpholin-4-ylspiro[1-azabicyclo[2.2.2]octane-3,2'-3H-furo[2,3-b]pyridine] is c1nc2c(cc1N1CCOCC1)C[C@]1(CN3CCC1CC3)O2.
What is the InChIKey of (3S)-5'-morpholin-4-ylspiro[1-azabicyclo[2.2.2]octane-3,2'-3H-furo[2,3-b]pyridine]?
The InChIKey is XBROIQWGIQLJPH-QGZVFWFLSA-N. The full InChI is InChI=1S/C17H23N3O2/c1-3-19-4-2-14(1)17(12-19)10-13-9-15(11-18-16(13)22-17)20-5-7-21-8-6-20/h9,11,14H,1-8,10,12H2/t17-/m1/s1.
What are the key properties of (3S)-5'-morpholin-4-ylspiro[1-azabicyclo[2.2.2]octane-3,2'-3H-furo[2,3-b]pyridine]?
(3S)-5'-morpholin-4-ylspiro[1-azabicyclo[2.2.2]octane-3,2'-3H-furo[2,3-b]pyridine] has a molecular weight of 301.39 g/mol, XLogP of 1.32, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-5'-morpholin-4-ylspiro[1-azabicyclo[2.2.2]octane-3,2'-3H-furo[2,3-b]pyridine] is sourced from PubChem (CID 18719784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).