(6R)-11-(3-fluoro-2-pyridinyl)-2-(pyridin-3-ylmethyl)-8-oxa-2,11-diazaspiro[5.6]dodecane

C20H25FN4O — CID 97494732

About (6R)-11-(3-fluoro-2-pyridinyl)-2-(pyridin-3-ylmethyl)-8-oxa-2,11-diazaspiro[5.6]dodecane

(6R)-11-(3-fluoro-2-pyridinyl)-2-(pyridin-3-ylmethyl)-8-oxa-2,11-diazaspiro[5.6]dodecane (PubChem CID 97494732) has the molecular formula C20H25FN4O and a molecular weight of 356.44 g/mol. Its IUPAC name is (6R)-11-(3-fluoro-2-pyridinyl)-2-(pyridin-3-ylmethyl)-8-oxa-2,11-diazaspiro[5.6]dodecane.

Molecular Properties

• Compound Name: (6R)-11-(3-fluoro-2-pyridinyl)-2-(pyridin-3-ylmethyl)-8-oxa-2,11-diazaspiro[5.6]dodecane
• PubChem CID: 97494732
• Molecular Formula: C20H25FN4O
• Molecular Weight: 356.44 g/mol
• Exact Mass: 356.20
• IUPAC Name: (6R)-11-(3-fluoro-2-pyridinyl)-2-(pyridin-3-ylmethyl)-8-oxa-2,11-diazaspiro[5.6]dodecane
• SMILES: Fc1cccnc1N1CCOC[C@@]2(CCCN(Cc3cccnc3)C2)C1
• InChI: InChI=1S/C20H25FN4O/c21-18-5-2-8-23-19(18)25-10-11-26-16-20(15-25)6-3-9-24(14-20)13-17-4-1-7-22-12-17/h1-2,4-5,7-8,12H,3,6,9-11,13-16H2/t20-/m1/s1
• InChIKey: JKSSQDGJLAJTHY-HXUWFJFHSA-N
• XLogP: 2.73
• TPSA: 41.49 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 3
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	356.44
LogP ≤ 5	2.73
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of (6R)-11-(3-fluoro-2-pyridinyl)-2-(pyridin-3-ylmethyl)-8-oxa-2,11-diazaspiro[5.6]dodecane?

The IUPAC name of (6R)-11-(3-fluoro-2-pyridinyl)-2-(pyridin-3-ylmethyl)-8-oxa-2,11-diazaspiro[5.6]dodecane (CID 97494732) is (6R)-11-(3-fluoro-2-pyridinyl)-2-(pyridin-3-ylmethyl)-8-oxa-2,11-diazaspiro[5.6]dodecane.

What is the SMILES notation for (6R)-11-(3-fluoro-2-pyridinyl)-2-(pyridin-3-ylmethyl)-8-oxa-2,11-diazaspiro[5.6]dodecane?

The canonical SMILES for (6R)-11-(3-fluoro-2-pyridinyl)-2-(pyridin-3-ylmethyl)-8-oxa-2,11-diazaspiro[5.6]dodecane is Fc1cccnc1N1CCOC[C@@]2(CCCN(Cc3cccnc3)C2)C1.

What is the InChIKey of (6R)-11-(3-fluoro-2-pyridinyl)-2-(pyridin-3-ylmethyl)-8-oxa-2,11-diazaspiro[5.6]dodecane?

The InChIKey is JKSSQDGJLAJTHY-HXUWFJFHSA-N. The full InChI is InChI=1S/C20H25FN4O/c21-18-5-2-8-23-19(18)25-10-11-26-16-20(15-25)6-3-9-24(14-20)13-17-4-1-7-22-12-17/h1-2,4-5,7-8,12H,3,6,9-11,13-16H2/t20-/m1/s1.

What are the key properties of (6R)-11-(3-fluoro-2-pyridinyl)-2-(pyridin-3-ylmethyl)-8-oxa-2,11-diazaspiro[5.6]dodecane?

(6R)-11-(3-fluoro-2-pyridinyl)-2-(pyridin-3-ylmethyl)-8-oxa-2,11-diazaspiro[5.6]dodecane has a molecular weight of 356.44 g/mol, XLogP of 2.73, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (6R)-11-(3-fluoro-2-pyridinyl)-2-(pyridin-3-ylmethyl)-8-oxa-2,11-diazaspiro[5.6]dodecane is sourced from PubChem (CID 97494732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).