1-[(3R,5R)-3-[(3-fluoro-2-pyridinyl)oxy]-1-oxa-9-azaspiro[4.5]decan-9-yl]-3-(1H-pyrrol-2-yl)propan-1-one

C20H24FN3O3 — CID 155876509

About 1-[(3R,5R)-3-[(3-fluoro-2-pyridinyl)oxy]-1-oxa-9-azaspiro[4.5]decan-9-yl]-3-(1H-pyrrol-2-yl)propan-1-one

1-[(3R,5R)-3-[(3-fluoro-2-pyridinyl)oxy]-1-oxa-9-azaspiro[4.5]decan-9-yl]-3-(1H-pyrrol-2-yl)propan-1-one (PubChem CID 155876509) has the molecular formula C20H24FN3O3 and a molecular weight of 373.43 g/mol. Its IUPAC name is 1-[(3R,5R)-3-[(3-fluoro-2-pyridinyl)oxy]-1-oxa-9-azaspiro[4.5]decan-9-yl]-3-(1H-pyrrol-2-yl)propan-1-one.

Molecular Properties

• Compound Name: 1-[(3R,5R)-3-[(3-fluoro-2-pyridinyl)oxy]-1-oxa-9-azaspiro[4.5]decan-9-yl]-3-(1H-pyrrol-2-yl)propan-1-one
• PubChem CID: 155876509
• Molecular Formula: C20H24FN3O3
• Molecular Weight: 373.43 g/mol
• Exact Mass: 373.18
• IUPAC Name: 1-[(3R,5R)-3-[(3-fluoro-2-pyridinyl)oxy]-1-oxa-9-azaspiro[4.5]decan-9-yl]-3-(1H-pyrrol-2-yl)propan-1-one
• SMILES: O=C(CCc1ccc[nH]1)N1CCC[C@@]2(C[C@@H](Oc3ncccc3F)CO2)C1
• InChI: InChI=1S/C20H24FN3O3/c21-17-5-2-10-23-19(17)27-16-12-20(26-13-16)8-3-11-24(14-20)18(25)7-6-15-4-1-9-22-15/h1-2,4-5,9-10,16,22H,3,6-8,11-14H2/t16-,20-/m1/s1
• InChIKey: OWMIFPRAPJEHAS-OXQOHEQNSA-N
• XLogP: 2.71
• TPSA: 67.45 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	373.43
LogP ≤ 5	2.71
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 1-[(3R,5R)-3-[(3-fluoro-2-pyridinyl)oxy]-1-oxa-9-azaspiro[4.5]decan-9-yl]-3-(1H-pyrrol-2-yl)propan-1-one?

The IUPAC name of 1-[(3R,5R)-3-[(3-fluoro-2-pyridinyl)oxy]-1-oxa-9-azaspiro[4.5]decan-9-yl]-3-(1H-pyrrol-2-yl)propan-1-one (CID 155876509) is 1-[(3R,5R)-3-[(3-fluoro-2-pyridinyl)oxy]-1-oxa-9-azaspiro[4.5]decan-9-yl]-3-(1H-pyrrol-2-yl)propan-1-one.

What is the SMILES notation for 1-[(3R,5R)-3-[(3-fluoro-2-pyridinyl)oxy]-1-oxa-9-azaspiro[4.5]decan-9-yl]-3-(1H-pyrrol-2-yl)propan-1-one?

The canonical SMILES for 1-[(3R,5R)-3-[(3-fluoro-2-pyridinyl)oxy]-1-oxa-9-azaspiro[4.5]decan-9-yl]-3-(1H-pyrrol-2-yl)propan-1-one is O=C(CCc1ccc[nH]1)N1CCC[C@@]2(C[C@@H](Oc3ncccc3F)CO2)C1.

What is the InChIKey of 1-[(3R,5R)-3-[(3-fluoro-2-pyridinyl)oxy]-1-oxa-9-azaspiro[4.5]decan-9-yl]-3-(1H-pyrrol-2-yl)propan-1-one?

The InChIKey is OWMIFPRAPJEHAS-OXQOHEQNSA-N. The full InChI is InChI=1S/C20H24FN3O3/c21-17-5-2-10-23-19(17)27-16-12-20(26-13-16)8-3-11-24(14-20)18(25)7-6-15-4-1-9-22-15/h1-2,4-5,9-10,16,22H,3,6-8,11-14H2/t16-,20-/m1/s1.

What are the key properties of 1-[(3R,5R)-3-[(3-fluoro-2-pyridinyl)oxy]-1-oxa-9-azaspiro[4.5]decan-9-yl]-3-(1H-pyrrol-2-yl)propan-1-one?

1-[(3R,5R)-3-[(3-fluoro-2-pyridinyl)oxy]-1-oxa-9-azaspiro[4.5]decan-9-yl]-3-(1H-pyrrol-2-yl)propan-1-one has a molecular weight of 373.43 g/mol, XLogP of 2.71, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[(3R,5R)-3-[(3-fluoro-2-pyridinyl)oxy]-1-oxa-9-azaspiro[4.5]decan-9-yl]-3-(1H-pyrrol-2-yl)propan-1-one is sourced from PubChem (CID 155876509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).