(7R)-7-[(3-fluoro-2-pyridinyl)oxy]-2-[(1-propan-2-ylpyrazol-4-yl)methyl]-5-thia-2-azaspiro[3.4]octane

C18H23FN4OS — CID 124805015

About (7R)-7-[(3-fluoro-2-pyridinyl)oxy]-2-[(1-propan-2-ylpyrazol-4-yl)methyl]-5-thia-2-azaspiro[3.4]octane

(7R)-7-[(3-fluoro-2-pyridinyl)oxy]-2-[(1-propan-2-ylpyrazol-4-yl)methyl]-5-thia-2-azaspiro[3.4]octane (PubChem CID 124805015) has the molecular formula C18H23FN4OS and a molecular weight of 362.47 g/mol. Its IUPAC name is (7R)-7-[(3-fluoro-2-pyridinyl)oxy]-2-[(1-propan-2-ylpyrazol-4-yl)methyl]-5-thia-2-azaspiro[3.4]octane.

Molecular Properties

• Compound Name: (7R)-7-[(3-fluoro-2-pyridinyl)oxy]-2-[(1-propan-2-ylpyrazol-4-yl)methyl]-5-thia-2-azaspiro[3.4]octane
• PubChem CID: 124805015
• Molecular Formula: C18H23FN4OS
• Molecular Weight: 362.47 g/mol
• Exact Mass: 362.16
• IUPAC Name: (7R)-7-[(3-fluoro-2-pyridinyl)oxy]-2-[(1-propan-2-ylpyrazol-4-yl)methyl]-5-thia-2-azaspiro[3.4]octane
• SMILES: CC(C)n1cc(CN2CC3(C[C@@H](Oc4ncccc4F)CS3)C2)cn1
• InChI: InChI=1S/C18H23FN4OS/c1-13(2)23-9-14(7-21-23)8-22-11-18(12-22)6-15(10-25-18)24-17-16(19)4-3-5-20-17/h3-5,7,9,13,15H,6,8,10-12H2,1-2H3/t15-/m1/s1
• InChIKey: HOSJBBIQVHFGKX-OAHLLOKOSA-N
• XLogP: 3.14
• TPSA: 43.18 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	362.47
LogP ≤ 5	3.14
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of (7R)-7-[(3-fluoro-2-pyridinyl)oxy]-2-[(1-propan-2-ylpyrazol-4-yl)methyl]-5-thia-2-azaspiro[3.4]octane?

The IUPAC name of (7R)-7-[(3-fluoro-2-pyridinyl)oxy]-2-[(1-propan-2-ylpyrazol-4-yl)methyl]-5-thia-2-azaspiro[3.4]octane (CID 124805015) is (7R)-7-[(3-fluoro-2-pyridinyl)oxy]-2-[(1-propan-2-ylpyrazol-4-yl)methyl]-5-thia-2-azaspiro[3.4]octane.

What is the SMILES notation for (7R)-7-[(3-fluoro-2-pyridinyl)oxy]-2-[(1-propan-2-ylpyrazol-4-yl)methyl]-5-thia-2-azaspiro[3.4]octane?

The canonical SMILES for (7R)-7-[(3-fluoro-2-pyridinyl)oxy]-2-[(1-propan-2-ylpyrazol-4-yl)methyl]-5-thia-2-azaspiro[3.4]octane is CC(C)n1cc(CN2CC3(C[C@@H](Oc4ncccc4F)CS3)C2)cn1.

What is the InChIKey of (7R)-7-[(3-fluoro-2-pyridinyl)oxy]-2-[(1-propan-2-ylpyrazol-4-yl)methyl]-5-thia-2-azaspiro[3.4]octane?

The InChIKey is HOSJBBIQVHFGKX-OAHLLOKOSA-N. The full InChI is InChI=1S/C18H23FN4OS/c1-13(2)23-9-14(7-21-23)8-22-11-18(12-22)6-15(10-25-18)24-17-16(19)4-3-5-20-17/h3-5,7,9,13,15H,6,8,10-12H2,1-2H3/t15-/m1/s1.

What are the key properties of (7R)-7-[(3-fluoro-2-pyridinyl)oxy]-2-[(1-propan-2-ylpyrazol-4-yl)methyl]-5-thia-2-azaspiro[3.4]octane?

(7R)-7-[(3-fluoro-2-pyridinyl)oxy]-2-[(1-propan-2-ylpyrazol-4-yl)methyl]-5-thia-2-azaspiro[3.4]octane has a molecular weight of 362.47 g/mol, XLogP of 3.14, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (7R)-7-[(3-fluoro-2-pyridinyl)oxy]-2-[(1-propan-2-ylpyrazol-4-yl)methyl]-5-thia-2-azaspiro[3.4]octane is sourced from PubChem (CID 124805015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).