[(3R,5S)-3-(4-fluorophenoxy)-1-oxa-9-azaspiro[4.5]decan-9-yl]-[2-[(6-methyl-3-pyridinyl)oxy]-3-pyridinyl]methanone

C26H26FN3O4 — CID 110150441

About [(3R,5S)-3-(4-fluorophenoxy)-1-oxa-9-azaspiro[4.5]decan-9-yl]-[2-[(6-methyl-3-pyridinyl)oxy]-3-pyridinyl]methanone

[(3R,5S)-3-(4-fluorophenoxy)-1-oxa-9-azaspiro[4.5]decan-9-yl]-[2-[(6-methyl-3-pyridinyl)oxy]-3-pyridinyl]methanone (PubChem CID 110150441) has the molecular formula C26H26FN3O4 and a molecular weight of 463.51 g/mol. Its IUPAC name is [(3R,5S)-3-(4-fluorophenoxy)-1-oxa-9-azaspiro[4.5]decan-9-yl]-[2-[(6-methyl-3-pyridinyl)oxy]-3-pyridinyl]methanone.

Molecular Properties

• Compound Name: [(3R,5S)-3-(4-fluorophenoxy)-1-oxa-9-azaspiro[4.5]decan-9-yl]-[2-[(6-methyl-3-pyridinyl)oxy]-3-pyridinyl]methanone
• PubChem CID: 110150441
• Molecular Formula: C26H26FN3O4
• Molecular Weight: 463.51 g/mol
• Exact Mass: 463.19
• IUPAC Name: [(3R,5S)-3-(4-fluorophenoxy)-1-oxa-9-azaspiro[4.5]decan-9-yl]-[2-[(6-methyl-3-pyridinyl)oxy]-3-pyridinyl]methanone
• SMILES: Cc1ccc(Oc2ncccc2C(=O)N2CCC[C@]3(C[C@@H](Oc4ccc(F)cc4)CO3)C2)cn1
• InChI: InChI=1S/C26H26FN3O4/c1-18-5-8-21(15-29-18)34-24-23(4-2-12-28-24)25(31)30-13-3-11-26(17-30)14-22(16-32-26)33-20-9-6-19(27)7-10-20/h2,4-10,12,15,22H,3,11,13-14,16-17H2,1H3/t22-,26+/m1/s1
• InChIKey: IYSPSCTVGLZETR-GJZUVCINSA-N
• XLogP: 4.56
• TPSA: 73.78 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	463.51
LogP ≤ 5	4.56
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of [(3R,5S)-3-(4-fluorophenoxy)-1-oxa-9-azaspiro[4.5]decan-9-yl]-[2-[(6-methyl-3-pyridinyl)oxy]-3-pyridinyl]methanone?

The IUPAC name of [(3R,5S)-3-(4-fluorophenoxy)-1-oxa-9-azaspiro[4.5]decan-9-yl]-[2-[(6-methyl-3-pyridinyl)oxy]-3-pyridinyl]methanone (CID 110150441) is [(3R,5S)-3-(4-fluorophenoxy)-1-oxa-9-azaspiro[4.5]decan-9-yl]-[2-[(6-methyl-3-pyridinyl)oxy]-3-pyridinyl]methanone.

What is the SMILES notation for [(3R,5S)-3-(4-fluorophenoxy)-1-oxa-9-azaspiro[4.5]decan-9-yl]-[2-[(6-methyl-3-pyridinyl)oxy]-3-pyridinyl]methanone?

The canonical SMILES for [(3R,5S)-3-(4-fluorophenoxy)-1-oxa-9-azaspiro[4.5]decan-9-yl]-[2-[(6-methyl-3-pyridinyl)oxy]-3-pyridinyl]methanone is Cc1ccc(Oc2ncccc2C(=O)N2CCC[C@]3(C[C@@H](Oc4ccc(F)cc4)CO3)C2)cn1.

What is the InChIKey of [(3R,5S)-3-(4-fluorophenoxy)-1-oxa-9-azaspiro[4.5]decan-9-yl]-[2-[(6-methyl-3-pyridinyl)oxy]-3-pyridinyl]methanone?

The InChIKey is IYSPSCTVGLZETR-GJZUVCINSA-N. The full InChI is InChI=1S/C26H26FN3O4/c1-18-5-8-21(15-29-18)34-24-23(4-2-12-28-24)25(31)30-13-3-11-26(17-30)14-22(16-32-26)33-20-9-6-19(27)7-10-20/h2,4-10,12,15,22H,3,11,13-14,16-17H2,1H3/t22-,26+/m1/s1.

What are the key properties of [(3R,5S)-3-(4-fluorophenoxy)-1-oxa-9-azaspiro[4.5]decan-9-yl]-[2-[(6-methyl-3-pyridinyl)oxy]-3-pyridinyl]methanone?

[(3R,5S)-3-(4-fluorophenoxy)-1-oxa-9-azaspiro[4.5]decan-9-yl]-[2-[(6-methyl-3-pyridinyl)oxy]-3-pyridinyl]methanone has a molecular weight of 463.51 g/mol, XLogP of 4.56, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for [(3R,5S)-3-(4-fluorophenoxy)-1-oxa-9-azaspiro[4.5]decan-9-yl]-[2-[(6-methyl-3-pyridinyl)oxy]-3-pyridinyl]methanone is sourced from PubChem (CID 110150441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).