[3-(4-fluorophenyl)-1H-pyrazol-5-yl]-(3-pyridin-2-yloxy-8-azabicyclo[3.2.1]octan-8-yl)methanone

C22H21FN4O2 — CID 121195501

About [3-(4-fluorophenyl)-1H-pyrazol-5-yl]-(3-pyridin-2-yloxy-8-azabicyclo[3.2.1]octan-8-yl)methanone

[3-(4-fluorophenyl)-1H-pyrazol-5-yl]-(3-pyridin-2-yloxy-8-azabicyclo[3.2.1]octan-8-yl)methanone (PubChem CID 121195501) has the molecular formula C22H21FN4O2 and a molecular weight of 392.43 g/mol. Its IUPAC name is [3-(4-fluorophenyl)-1H-pyrazol-5-yl]-(3-pyridin-2-yloxy-8-azabicyclo[3.2.1]octan-8-yl)methanone.

Molecular Properties

• Compound Name: [3-(4-fluorophenyl)-1H-pyrazol-5-yl]-(3-pyridin-2-yloxy-8-azabicyclo[3.2.1]octan-8-yl)methanone
• PubChem CID: 121195501
• Molecular Formula: C22H21FN4O2
• Molecular Weight: 392.43 g/mol
• Exact Mass: 392.16
• IUPAC Name: [3-(4-fluorophenyl)-1H-pyrazol-5-yl]-(3-pyridin-2-yloxy-8-azabicyclo[3.2.1]octan-8-yl)methanone
• SMILES: O=C(c1cc(-c2ccc(F)cc2)n[nH]1)N1C2CCC1CC(Oc1ccccn1)C2
• InChI: InChI=1S/C22H21FN4O2/c23-15-6-4-14(5-7-15)19-13-20(26-25-19)22(28)27-16-8-9-17(27)12-18(11-16)29-21-3-1-2-10-24-21/h1-7,10,13,16-18H,8-9,11-12H2,(H,25,26)
• InChIKey: LFJVVXBVUYPYEU-UHFFFAOYSA-N
• XLogP: 3.83
• TPSA: 71.11 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	392.43
LogP ≤ 5	3.83
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of [3-(4-fluorophenyl)-1H-pyrazol-5-yl]-(3-pyridin-2-yloxy-8-azabicyclo[3.2.1]octan-8-yl)methanone?

The IUPAC name of [3-(4-fluorophenyl)-1H-pyrazol-5-yl]-(3-pyridin-2-yloxy-8-azabicyclo[3.2.1]octan-8-yl)methanone (CID 121195501) is [3-(4-fluorophenyl)-1H-pyrazol-5-yl]-(3-pyridin-2-yloxy-8-azabicyclo[3.2.1]octan-8-yl)methanone.

What is the SMILES notation for [3-(4-fluorophenyl)-1H-pyrazol-5-yl]-(3-pyridin-2-yloxy-8-azabicyclo[3.2.1]octan-8-yl)methanone?

The canonical SMILES for [3-(4-fluorophenyl)-1H-pyrazol-5-yl]-(3-pyridin-2-yloxy-8-azabicyclo[3.2.1]octan-8-yl)methanone is O=C(c1cc(-c2ccc(F)cc2)n[nH]1)N1C2CCC1CC(Oc1ccccn1)C2.

What is the InChIKey of [3-(4-fluorophenyl)-1H-pyrazol-5-yl]-(3-pyridin-2-yloxy-8-azabicyclo[3.2.1]octan-8-yl)methanone?

The InChIKey is LFJVVXBVUYPYEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21FN4O2/c23-15-6-4-14(5-7-15)19-13-20(26-25-19)22(28)27-16-8-9-17(27)12-18(11-16)29-21-3-1-2-10-24-21/h1-7,10,13,16-18H,8-9,11-12H2,(H,25,26).

What are the key properties of [3-(4-fluorophenyl)-1H-pyrazol-5-yl]-(3-pyridin-2-yloxy-8-azabicyclo[3.2.1]octan-8-yl)methanone?

[3-(4-fluorophenyl)-1H-pyrazol-5-yl]-(3-pyridin-2-yloxy-8-azabicyclo[3.2.1]octan-8-yl)methanone has a molecular weight of 392.43 g/mol, XLogP of 3.83, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for [3-(4-fluorophenyl)-1H-pyrazol-5-yl]-(3-pyridin-2-yloxy-8-azabicyclo[3.2.1]octan-8-yl)methanone is sourced from PubChem (CID 121195501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).