2-(furan-3-ylmethyl)-7-pyridin-2-yloxy-2-azabicyclo[2.2.1]heptane;2,2,2-trifluoroacetic acid

C18H19F3N2O4 — CID 155825745

IUPAC2-(furan-3-ylmethyl)-7-pyridin-2-yloxy-2-azabicyclo[2.2.1]heptane;2,2,2-trifluoroacetic acid
SMILESO=C(O)C(F)(F)F.c1ccc(OC2C3CCC2N(Cc2ccoc2)C3)nc1
InChIInChI=1S/C16H18N2O2.C2HF3O2/c1-2-7-17-15(3-1)20-16-13-4-5-14(16)18(10-13)9-12-6-8-19-11-12;3-2(4,5)1(6)7/h1-3,6-8,11,13-14,16H,4-5,9-10H2;(H,6,7)
InChIKeyZKEWDYLFMPCSHG-UHFFFAOYSA-N
MW384.35 g/mol
LogP3.35
Rot. Bonds4

About 2-(furan-3-ylmethyl)-7-pyridin-2-yloxy-2-azabicyclo[2.2.1]heptane;2,2,2-trifluoroacetic acid

2-(furan-3-ylmethyl)-7-pyridin-2-yloxy-2-azabicyclo[2.2.1]heptane;2,2,2-trifluoroacetic acid (PubChem CID 155825745) has the molecular formula C18H19F3N2O4 and a molecular weight of 384.35 g/mol. Its IUPAC name is 2-(furan-3-ylmethyl)-7-pyridin-2-yloxy-2-azabicyclo[2.2.1]heptane;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name2-(furan-3-ylmethyl)-7-pyridin-2-yloxy-2-azabicyclo[2.2.1]heptane;2,2,2-trifluoroacetic acid
PubChem CID155825745
Molecular FormulaC18H19F3N2O4
Molecular Weight384.35 g/mol
Exact Mass384.13
IUPAC Name2-(furan-3-ylmethyl)-7-pyridin-2-yloxy-2-azabicyclo[2.2.1]heptane;2,2,2-trifluoroacetic acid
SMILESO=C(O)C(F)(F)F.c1ccc(OC2C3CCC2N(Cc2ccoc2)C3)nc1
InChIInChI=1S/C16H18N2O2.C2HF3O2/c1-2-7-17-15(3-1)20-16-13-4-5-14(16)18(10-13)9-12-6-8-19-11-12;3-2(4,5)1(6)7/h1-3,6-8,11,13-14,16H,4-5,9-10H2;(H,6,7)
InChIKeyZKEWDYLFMPCSHG-UHFFFAOYSA-N
XLogP3.35
TPSA75.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.35
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-(furan-3-ylmethyl)-7-pyridin-2-yloxy-2-azabicyclo[2.2.1]heptane;2,2,2-trifluoroacetic acid with MolForge

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Related Compounds

(1R,4S,7R)-2-(1,3-benzodioxol-5-ylmethyl)-7-pyridin-2-yloxy-2-azabicyclo[2.2.1]heptane
CID 124827228
(4aR,7aR)-4-(furan-3-ylmethyl)-6-(pyridin-2-yloxymethyl)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazine;bis(2,2,2-trifluoroacetic acid)
CID 127022679
[(3R,3aS,7aR)-3-pyridin-2-yloxy-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrol-1-yl]-(furan-3-yl)methanone;2,2,2-trifluoroacetic acid
CID 155837256
(4aS,7R,7aR)-4-(pyridin-2-ylmethyl)-7-pyridin-2-yloxy-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazine;tris(2,2,2-trifluoroacetic acid)
CID 155837543
(3R,3aR,7aS)-1-(furan-3-ylmethyl)-3-(pyridin-4-ylmethoxy)-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrole;bis(2,2,2-trifluoroacetic acid)
CID 155833825
5-(furan-3-ylmethyl)-9-(pyridin-4-ylmethoxy)-2-oxa-5-azabicyclo[4.2.1]nonane;bis(2,2,2-trifluoroacetic acid)
CID 155854612
(3S,3aS,7aR)-1-[(6-methyl-2-pyridinyl)methyl]-3-pyridin-2-yloxy-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrole;bis(2,2,2-trifluoroacetic acid)
CID 155835128
(4aS,8R,8aS)-6-(furan-3-ylmethyl)-N-pyridin-2-yl-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridin-8-amine;bis(2,2,2-trifluoroacetic acid)
CID 155845195
2-[4-(furan-3-ylmethyl)morpholin-3-yl]-N-pyridin-2-ylpyrimidin-4-amine;bis(2,2,2-trifluoroacetic acid)
CID 155832288
[(3R,3aS,7aR)-3-pyridin-2-yloxy-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrol-1-yl]-(furan-2-yl)methanone;2,2,2-trifluoroacetic acid
CID 155827334
(4aS,7S,7aR)-4-cyclobutyl-7-pyridin-2-yloxy-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazine;bis(2,2,2-trifluoroacetic acid)
CID 155852589
(3R,3aS,7aR)-1-[(5-methyl-1,2-oxazol-3-yl)methyl]-3-pyridin-2-yloxy-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrole;bis(2,2,2-trifluoroacetic acid)
CID 155824000

Frequently Asked Questions

What is the IUPAC name of 2-(furan-3-ylmethyl)-7-pyridin-2-yloxy-2-azabicyclo[2.2.1]heptane;2,2,2-trifluoroacetic acid?
The IUPAC name of 2-(furan-3-ylmethyl)-7-pyridin-2-yloxy-2-azabicyclo[2.2.1]heptane;2,2,2-trifluoroacetic acid (CID 155825745) is 2-(furan-3-ylmethyl)-7-pyridin-2-yloxy-2-azabicyclo[2.2.1]heptane;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 2-(furan-3-ylmethyl)-7-pyridin-2-yloxy-2-azabicyclo[2.2.1]heptane;2,2,2-trifluoroacetic acid?
The canonical SMILES for 2-(furan-3-ylmethyl)-7-pyridin-2-yloxy-2-azabicyclo[2.2.1]heptane;2,2,2-trifluoroacetic acid is O=C(O)C(F)(F)F.c1ccc(OC2C3CCC2N(Cc2ccoc2)C3)nc1.
What is the InChIKey of 2-(furan-3-ylmethyl)-7-pyridin-2-yloxy-2-azabicyclo[2.2.1]heptane;2,2,2-trifluoroacetic acid?
The InChIKey is ZKEWDYLFMPCSHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O2.C2HF3O2/c1-2-7-17-15(3-1)20-16-13-4-5-14(16)18(10-13)9-12-6-8-19-11-12;3-2(4,5)1(6)7/h1-3,6-8,11,13-14,16H,4-5,9-10H2;(H,6,7).
What are the key properties of 2-(furan-3-ylmethyl)-7-pyridin-2-yloxy-2-azabicyclo[2.2.1]heptane;2,2,2-trifluoroacetic acid?
2-(furan-3-ylmethyl)-7-pyridin-2-yloxy-2-azabicyclo[2.2.1]heptane;2,2,2-trifluoroacetic acid has a molecular weight of 384.35 g/mol, XLogP of 3.35, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(furan-3-ylmethyl)-7-pyridin-2-yloxy-2-azabicyclo[2.2.1]heptane;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 155825745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).